WorldWideScience

Sample records for perturbed atomic environments

  1. Regular perturbation theory for two-electron atoms

    International Nuclear Information System (INIS)

    Feranchuk, I.D.; Triguk, V.V.

    2011-01-01

    Regular perturbation theory (RPT) for the ground and excited states of two-electron atoms or ions is developed. It is shown for the first time that summation of the matrix elements from the electron-electron interaction operator over all intermediate states can be calculated in a closed form by means of the two-particle Coulomb Green's function constructed in the Letter. It is shown that the second order approximation of RPT includes the main part of the correlation energy both for the ground and excited states. This approach can be also useful for description of two-electron atoms in external fields. -- Highlights: → We develop regular perturbation theory for the two-electron atoms or ions. → We calculate the sum of the matrix elements over all intermediate states. → We construct the two-particle Coulomb Green's function.

  2. Variational Perturbation Treatment of the Confined Hydrogen Atom

    Science.gov (United States)

    Montgomery, H. E., Jr.

    2011-01-01

    The Schrodinger equation for the ground state of a hydrogen atom confined at the centre of an impenetrable cavity is treated using variational perturbation theory. Energies calculated from variational perturbation theory are comparable in accuracy to the results from a direct numerical solution. The goal of this exercise is to introduce the…

  3. Dimensional perturbation theory for the two-electron atom

    International Nuclear Information System (INIS)

    Goodson, D.Z.

    1987-01-01

    Perturbation theory in δ = 1/D, where D is the dimensionality of space, is applied to the two-electron atom. In Chapter 1 an efficient procedure for calculating the coefficients of the perturbation series for the ground-state energy is developed using recursion relations between the moments of the coordinate operators. Results through tenth order are presented. The series is divergent, but Pade summation gives results comparable in accuracy to the best configuration-interaction calculations. The singularity structure of the Pade approximants confirms the hypothesis that the energy as a function of δ has an infinite sequence of poles on the negative real axis that approaches an essential singularity at δ = O. The essential singularity causes the divergence of the perturbation series. There are also two poles at δ = 1 that slow the asymptotic convergence of the low-order terms. In Chapter 2, various techniques are demonstrated for removing the effect of these poles, and accurate results are thereby obtained, even at very low order. In Chapter 3, the large D limit of the correlation energy (CE) is investigated. In the limit D → infinity it is only 35% smaller than at D = 3. It can be made to vanish in the limit by modifying the Hartree-Fock (HF) wavefunction. In Chapter 4, perturbation theory is applied to the Hooke's-law model of the atom. Prospects for treating more-complicated systems are briefly discussed

  4. Atomic phenomena in dense plasmas

    International Nuclear Information System (INIS)

    Weisheit, J.C.

    1981-03-01

    The following chapters are included: (1) the plasma environment, (2) perturbations of atomic structure, (3) perturbations of atomic collisions, (4) formation of spectral lines, and (5) dielectronic recombination

  5. Adiabatic perturbation theory for atoms and molecules in the low-frequency regime.

    Science.gov (United States)

    Martiskainen, Hanna; Moiseyev, Nimrod

    2017-12-14

    There is an increasing interest in the photoinduced dynamics in the low frequency, ω, regime. The multiphoton absorptions by molecules in strong laser fields depend on the polarization of the laser and on the molecular structure. The unique properties of the interaction of atoms and molecules with lasers in the low-frequency regime imply new concepts and directions in strong-field light-matter interactions. Here we represent a perturbational approach for the calculations of the quasi-energy spectrum in the low-frequency regime, which avoids the construction of the Floquet operator with extremely large number of Floquet channels. The zero-order Hamiltonian in our perturbational approach is the adiabatic Hamiltonian where the atoms/molecules are exposed to a dc electric field rather than to ac-field. This is in the spirit of the first step in the Corkum three-step model. The second-order perturbation correction terms are obtained when iℏω∂∂τ serves as a perturbation and τ is a dimensionless variable. The second-order adiabatic perturbation scheme is found to be an excellent approach for calculating the ac-field Floquet solutions in our test case studies of a simple one-dimensional time-periodic model Hamiltonian. It is straightforward to implement the perturbation approach presented here for calculating atomic and molecular energy shifts (positions) due to the interaction with low-frequency ac-fields using high-level electronic structure methods. This is enabled since standard quantum chemistry packages allow the calculations of atomic and molecular energy shifts due to the interaction with dc-fields. In addition to the shift of the energy positions, the energy widths (inverse lifetimes) can be obtained at the same level of theory. These energy shifts are functions of the laser parameters (low frequency, intensity, and polarization).

  6. Semiclassical perturbation theory for diffraction in heavy atom surface scattering.

    Science.gov (United States)

    Miret-Artés, Salvador; Daon, Shauli; Pollak, Eli

    2012-05-28

    The semiclassical perturbation theory formalism of Hubbard and Miller [J. Chem. Phys. 78, 1801 (1983)] for atom surface scattering is used to explore the possibility of observation of heavy atom diffractive scattering. In the limit of vanishing ℏ the semiclassical theory is shown to reduce to the classical perturbation theory. The quantum diffraction pattern is sensitive to the characteristics of the beam of incoming particles. Necessary conditions for observation of quantum diffraction are derived for the angular width of the incoming beam. An analytic expression for the angular distribution as a function of the angular and momentum variance of the incoming beam is obtained. We show both analytically and through some numerical results that increasing the angular width of the incident beam leads to decoherence of the quantum diffraction peaks and one approaches the classical limit. However, the incoherence of the beam in the parallel direction does not destroy the diffraction pattern. We consider the specific example of Ar atoms scattered from a rigid LiF(100) surface.

  7. Non-perturbative treatment of relativistic quantum corrections in large Z atoms

    International Nuclear Information System (INIS)

    Dietz, K.; Weymans, G.

    1983-09-01

    Renormalised g-Hartree-Dirac equations incorporating Dirac sea contributions are derived. Their implications for the non-perturbative, selfconsistent calculation of quantum corrections in large Z atoms are discussed. (orig.)

  8. Estimating Atomic Contributions to Hydration and Binding Using Free Energy Perturbation.

    Science.gov (United States)

    Irwin, Benedict W J; Huggins, David J

    2018-05-08

    We present a general method called atom-wise free energy perturbation (AFEP), which extends a conventional molecular dynamics free energy perturbation (FEP) simulation to give the contribution to a free energy change from each atom. AFEP is derived from an expansion of the Zwanzig equation used in the exponential averaging method by defining that the system total energy can be partitioned into contributions from each atom. A partitioning method is assumed and used to group terms in the expansion to correspond to individual atoms. AFEP is applied to six example free energy changes to demonstrate the method. Firstly, the hydration free energies of methane, methanol, methylamine, methanethiol, and caffeine in water. AFEP highlights the atoms in the molecules that interact favorably or unfavorably with water. Finally AFEP is applied to the binding free energy of human immunodeficiency virus type 1 protease to lopinavir, and AFEP reveals the contribution of each atom to the binding free energy, indicating candidate areas of the molecule to improve to produce a more strongly binding inhibitor. FEP gives a single value for the free energy change and is already a very useful method. AFEP gives a free energy change for each "part" of the system being simulated, where part can mean individual atoms, chemical groups, amino acids, or larger partitions depending on what the user is trying to measure. This method should have various applications in molecular dynamics studies of physical, chemical, or biochemical phenomena, specifically in the field of computational drug discovery.

  9. PubChem atom environments.

    Science.gov (United States)

    Hähnke, Volker D; Bolton, Evan E; Bryant, Stephen H

    2015-01-01

    Atom environments and fragments find wide-spread use in chemical information and cheminformatics. They are the basis of prediction models, an integral part in similarity searching, and employed in structure search techniques. Most of these methods were developed and evaluated on the relatively small sets of chemical structures available at the time. An analysis of fragment distributions representative of most known chemical structures was published in the 1970s using the Chemical Abstracts Service data system. More recently, advances in automated synthesis of chemicals allow millions of chemicals to be synthesized by a single organization. In addition, open chemical databases are readily available containing tens of millions of chemical structures from a multitude of data sources, including chemical vendors, patents, and the scientific literature, making it possible for scientists to readily access most known chemical structures. With this availability of information, one can now address interesting questions, such as: what chemical fragments are known today? How do these fragments compare to earlier studies? How unique are chemical fragments found in chemical structures? For our analysis, after hydrogen suppression, atoms were characterized by atomic number, formal charge, implicit hydrogen count, explicit degree (number of neighbors), valence (bond order sum), and aromaticity. Bonds were differentiated as single, double, triple or aromatic bonds. Atom environments were created in a circular manner focused on a central atom with radii from 0 (atom types) up to 3 (representative of ECFP_6 fragments). In total, combining atom types and atom environments that include up to three spheres of nearest neighbors, our investigation identified 28,462,319 unique fragments in the 46 million structures found in the PubChem Compound database as of January 2013. We could identify several factors inflating the number of environments involving transition metals, with many

  10. Photoabsorption spectra in the perturbative regime for atoms in crossed electric and magnetic fields

    International Nuclear Information System (INIS)

    Marxer, H.; Moser, I.; O'Mahony, P.F.; Mota-Furtado, F.

    1994-01-01

    We calculate photoabsorption spectra of atoms in crossed electric and magnetic fields using a truncated basis of Coulomb eigenfunctions. The method yields spectra in the regime where inter-n-mixing is not dominant and allows for the treatment of non-hydrogenic atoms via a simple recourse to quantum defects. We compare results for hydrogen to those obtained in second order perturbation theory where the residual degeneracy left in first order perturbation theory is completely lifted and we show that only a very small basis size is needed to achieve convergence to within the accuracy of second order perturbation theory. In the case of lithium the coupling of an incomplete hydrogen-like manifold to states with non-negligible quantum defects substantially modifies the spectra obtained in comparison to the purely hydrogenic spectra. In the inter-n-mixing regime we also compare our convoluted results directly with an experimental spectrum for hydrogen and find good agreement below the saddle point. (Author)

  11. Laplace-transformed multi-reference second-order perturbation theories in the atomic and active molecular orbital basis

    NARCIS (Netherlands)

    Helmich-Paris, B.; Knecht, Stefan

    2017-01-01

    In the present article, we show how to formulate the partially contracted n-electron valence second-order perturbation theory (NEVPT2) energies in the atomic and active molecular orbital basis by employing the Laplace transformation of orbital-energy denominators (OEDs). As atomic-orbital (AO) basis

  12. Variational-integral perturbation corrections of some lower excited states for hydrogen atoms in magnetic fields

    International Nuclear Information System (INIS)

    Yuan Lin; Zhou Ben-Hu; Zhao Yun-Hui; Xu Jun; Hai Wen-Hua

    2012-01-01

    A variational-integral perturbation method (VIPM) is established by combining the variational perturbation with the integral perturbation. The first-order corrected wave functions are constructed, and the second-order energy corrections for the ground state and several lower excited states are calculated by applying the VIPM to the hydrogen atom in a strong uniform magnetic field. Our calculations demonstrated that the energy calculated by the VIPM only shows a negative value, which indicates that the VIPM method is more accurate than the other methods. Our study indicated that the VIPM can not only increase the accuracy of the results but also keep the convergence of the wave functions

  13. Diagrammatic many-body perturbation expansion for atoms and molecules. Pt. 6

    International Nuclear Information System (INIS)

    Moncrieff, D.; Baker, D.J.; Wilson, S.

    1989-01-01

    The efficient evaluation of the second-order expression in the many-body perturbation theory expansion for the correlation energy on vector processing and parallel processing computers is discussed. It is argued that the linked diagram theorem not only leads to the well known theoretical advantages of the many-body perturbation theory approach which allows the calculation of correlation energies for large (i.e. extended molecules or species containing heavy atoms) systems but also decouples the many-electron problem allowing efficient implementation on parallel processing machines. Furthermore, the computation associated with each of the resulting subproblems is very well suited to vector processing machines. Timing tests are reported for the CRAY 1 and CDC Cyber 205 vector processors, for a 1 processor implementation on the CRAY X-MP/48 and the ETA-10E, and for a 4 processor implementation on the Cray X-MP/48. (orig.)

  14. Cold atoms in a cryogenic environment

    International Nuclear Information System (INIS)

    Haslinger, S.

    2011-01-01

    The idea of quantum information processing attracts increasingly interest, where a complex collection of quantum objects and quantum bits are employed to find the ideal building blocks for quantum information systems. Hybrid quantum systems are therefore promising objects as they countervail the particular drawbacks of single quantum objects. Based on superconducting resonator technology, microwave coplanar waveguides provide a well suited interconnection for photons and solid-state quantum bits (qubits), extensively investigated in recent years. Since a quantum memory is presently missing in those electrical accessible circuit cavity quantum devices, connecting the fast processing in a solid sate device to the exceptional long coherence times in atomic ensembles, the presented work is focused to establish the technological foundations for the hybridization of such quantum systems. The microwave photons stored in a superconducting high finesse microwave resonator are therefore an ideal connection between the atom and the solid state quantum world. In the last decade, the miniaturization and integration of quantum optics and atomic physics manipulation techniques on to a single chip was successfully established. Such atom chips are capable of detailed quantum manipulation of ultra-cold atoms and provide a versatile platform to combine the manipulation techniques from atomic physics with the capability of nano-fabrication. In recent years several experiments succeeded in realization of superconducting atom chips in cryogenic environments which opens the road for integrating super-conductive microwave resonators to magnetically couple an atomic ensemble to photons stored in the coplanar high finesse cavity. This thesis presents the concept, design and experimental setup of two approaches to establish an atomic ensemble of rubidium atoms inside a cryogenic environment, based on an Electron beam driven alkali metal atom source for loading a magneto optical trap in a

  15. Perturbative approach to non-Markovian stochastic Schroedinger equations

    International Nuclear Information System (INIS)

    Gambetta, Jay; Wiseman, H.M.

    2002-01-01

    In this paper we present a perturbative procedure that allows one to numerically solve diffusive non-Markovian stochastic Schroedinger equations, for a wide range of memory functions. To illustrate this procedure numerical results are presented for a classically driven two-level atom immersed in an environment with a simple memory function. It is observed that as the order of the perturbation is increased the numerical results for the ensemble average state ρ red (t) approach the exact reduced state found via Imamog-barlu ' s enlarged system method [Phys. Rev. A 50, 3650 (1994)

  16. Evidence for atomic scale disorder in indium nitride from perturbed angular correlation spectroscopy

    International Nuclear Information System (INIS)

    Dogra, R; Shrestha, S K; Byrne, A P; Ridgway, M C; Edge, A V J; Vianden, R; Penner, J; Timmers, H

    2005-01-01

    The crystal lattice of bulk grains and state-of-the-art films of indium nitride was investigated at the atomic scale with perturbed angular correlation spectroscopy using the 111 In/Cd radioisotope probe. The probe was introduced during sample synthesis, by diffusion and by ion implantation. The mean quadrupole interaction frequency ν Q = 28 MHz was observed at the indium probe site in all types of indium nitride samples with broad frequency distributions. The observed small, but non-zero, asymmetry parameter indicates broken symmetry around the probe atoms. Results have been compared with theoretical calculations based on the point charge model. The consistency of the experimental results and their independence of the preparation technique suggest that the origin of the broad frequency distribution is inherent to indium nitride, indicating a high degree of disorder at the atomic scale. Due to the low dissociation temperature of indium nitride, furnace and rapid thermal annealing at atmospheric pressure reduce the lattice disorder only marginally

  17. Invariant exchange perturbation theory for multicenter systems: Time-dependent perturbations

    International Nuclear Information System (INIS)

    Orlenko, E. V.; Evstafev, A. V.; Orlenko, F. E.

    2015-01-01

    A formalism of exchange perturbation theory (EPT) is developed for the case of interactions that explicitly depend on time. Corrections to the wave function obtained in any order of perturbation theory and represented in an invariant form include exchange contributions due to intercenter electron permutations in complex multicenter systems. For collisions of atomic systems with an arbitrary type of interaction, general expressions are obtained for the transfer (T) and scattering (S) matrices in which intercenter electron permutations between overlapping nonorthogonal states belonging to different centers (atoms) are consistently taken into account. The problem of collision of alpha particles with lithium atoms accompanied by the redistribution of electrons between centers is considered. The differential and total charge-exchange cross sections of lithium are calculated

  18. Magnetic interaction of positronium atoms measured by perturbed angular distribution in 3 gamma annihilation decay

    International Nuclear Information System (INIS)

    Ivanov, E.; Vata, I.; Plostinaru, D.; Catana, D.; Dudu, D.; Constantinescu, O.

    2003-01-01

    The Time Differential Perturbed Angular Distribution (TDPAD) method in connection with long-lived Positron Life-Time Spectroscopy (PLTS) have been used to observe 'quantum beat' spin oscillations of positronium atom in an external magnetic field. Our results offer an encouraging hint toward a new method of condensed matter investigation by PLTS. Similarities with Muonium Spin Rotation (μSR) method are suggested. (authors)

  19. AtomPy: an open atomic-data curation environment

    Science.gov (United States)

    Bautista, Manuel; Mendoza, Claudio; Boswell, Josiah S; Ajoku, Chukwuemeka

    2014-06-01

    We present a cloud-computing environment for atomic data curation, networking among atomic data providers and users, teaching-and-learning, and interfacing with spectral modeling software. The system is based on Google-Drive Sheets, Pandas (Python Data Analysis Library) DataFrames, and IPython Notebooks for open community-driven curation of atomic data for scientific and technological applications. The atomic model for each ionic species is contained in a multi-sheet Google-Drive workbook, where the atomic parameters from all known public sources are progressively stored. Metadata (provenance, community discussion, etc.) accompanying every entry in the database are stored through Notebooks. Education tools on the physics of atomic processes as well as their relevance to plasma and spectral modeling are based on IPython Notebooks that integrate written material, images, videos, and active computer-tool workflows. Data processing workflows and collaborative software developments are encouraged and managed through the GitHub social network. Relevant issues this platform intends to address are: (i) data quality by allowing open access to both data producers and users in order to attain completeness, accuracy, consistency, provenance and currentness; (ii) comparisons of different datasets to facilitate accuracy assessment; (iii) downloading to local data structures (i.e. Pandas DataFrames) for further manipulation and analysis by prospective users; and (iv) data preservation by avoiding the discard of outdated sets.

  20. Hydrogen atom with a Yukawa potential: Perturbation theory and continued-fractions--Pade approximants at large order

    International Nuclear Information System (INIS)

    Vrscay, E.R.

    1986-01-01

    A simple power-series method is developed to calculate to large order the Rayleigh-Schroedinger perturbation expansions for energy levels of a hydrogen atom with a Yukawa-type screened Coulomb potential. Perturbation series for the 1s, 2s, and 2p levels, shown not to be of the Stieltjes type, are calculated to 100th order. Nevertheless, the poles of the Pade approximants to these series generally avoid the region of the positive real axis 0 < lambda < lambda(, where lambda( represents the coupling constant threshold. As a result, the Pade sums afford accurate approximations to E(lambda) in this domain. The continued-fraction representations to these perturbation series have been accurately calculated to large (100th) order and demonstrate a curious ''quasioscillatory,'' but non-Stieltjes, behavior. Accurate values of E(lambda) as well as lambda( for the 1s, 2s, and 2p levels are reported

  1. Exact perturbation theory of multiphoton processes at high intensities. [Schroedinger equation, perturbation theory, matrix

    Energy Technology Data Exchange (ETDEWEB)

    Faisal, F H.M. [Bielefeld Univ. (Germany, F.R.). Fakultaet fuer Physik

    1976-06-11

    In this work the perturbation theory for multiphoton processes at high intensities is investigated and it is described an analytical method of summing the perturbation series to extract the contribution from all terms that give rise to the absorption of N photons by an atomic system. The method is first applied to the solution of a simple model problem and the result is confirmed by direct integration of the model Schroedinger equation. The usual lowest (nonvanishing)-order perturbation-theoretical calculation is also carried out for this model to demonstrate explicitly that the full result correctly reproduces that of the lowest-order theory in the limit of low intensity. The method is then extended to the case of an atomic system with well-developed spectrum (e.g. H atom) and the N-photon T-matrix is derived in terms of a ''photon matrix'' asub(N), for which a three-term recurrence relation is established. Next, from the vantage point of the general result obtained here, A probe is made into the nature of several approximate nonperturbative solutions that have appeared in the literature in the past. It is shown here that their applicability is severely restricted by the requirement of the essential spectral degeneracy of the atomic system. Finally, appendix A outlines a prescription of computing the photon matrix asub(N), which (as in the usual lowest-order perturbation-theoretical calculation)requires a knowledge of the eigenfunctions and eigenvalues of the atomic Hamiltonian only.

  2. Electronic perturbation investigations into excitation and ionization in the millisecond pulsed glow discharge plasma

    International Nuclear Information System (INIS)

    Li Lei; Robertson-Honecker, Jennifer; Vaghela, Vishal; King, Fred L.

    2006-01-01

    This study employed a power perturbation method to examine the energy transfer processes at different locations within the afterpeak regime of a millisecond pulsed glow discharge plasma. Brief power perturbation pulses were applied during the afterpeak regime altering the environment of the collapsing plasma. Responses of several transitions to the power perturbations were measured via atomic emission and absorption spectroscopic methods at various distances from the surface of the cathode. The experimental data provide further insight into the energy transfer processes that occur at different spatial locations and in different temporal regimes of these pulsed glow discharge plasmas. Although the enhancement of the large population of metastable argon atoms is again confirmed, the mechanism responsible for this enhancement remains unclear. The most likely possibility involves some form of ion-electron recombination followed by radiative relaxation of the resulting species. The metastable argon atoms subsequently Penning ionize sputtered copper atoms which then appear to undergo a similar ion-electron recombination process yielding variable degrees of observable afterpeak emission for copper atom transitions. The kinetic information of these processes was approximated from the corresponding relaxation time. The electron thermalization time allowing for recombination with ions was found to be ∼25 μs after the discharge power termination

  3. Fourth-order terms in the diagrammatic perturbation expansion for the electronic energy of atoms and molecules

    International Nuclear Information System (INIS)

    Wilson, S.; Silver, D.M.

    1979-01-01

    Third-order diagrammatic perturbation theory provides a simple and accurate description of the electronic structure of atoms and molecules beyond that afforded by independent electron models. The largest corrections to such treatments, the fourth-order terms, are presented and discussed. All of the diagrams, which arise when the closed-shell Hartree--Fock function is utilized as a reference function, are given through fourth order. 18 references

  4. Inverting the Rayleigh-Schroedinger perturbation series: Application to atomic stabilization by intense light

    International Nuclear Information System (INIS)

    Baik, M.; Pont, M.; Shakeshaft, R.

    1995-01-01

    We develop a method for calculating the (quasi)energy eigenvalue E(F) of a hydrogen atom in a nonperturbative ac field of strength F starting from a knowledge of the coefficients E (2m) of the Rayleigh-Schroedinger perturbation series E(F)=tsum m=0 M E (2m) F 2m . We first use the coefficients E (2m) (the unperturbed energy is E (0) ) to construct the inverse series F 2 (E)=tsum m=1 M F (m) (E-E (0) ) m . We resum the latter series using the Pade method, and solve the implicit equation F 2 (E)=bar F 2 for E(bar F). The reconstructed function E(F) has the singularity structure appropriate to the true E(F). We are able to obtain good results for the lifetime of a hydrogen atom in a high-frequency field up to very high intensities, well into the (highly nonperturbative) stabilization regime

  5. Plasma out of thermodynamical equilibrium: influence of the plasma environment on atomic structure and collisional cross sections

    International Nuclear Information System (INIS)

    Belkhiri, Madeny

    2014-01-01

    In hot dense plasmas, the free-electron and ion spatial distribution may strongly affect the atomic structure. To account for such effects we have implemented a potential correction based on the uniform electron gas model and on a Thomas-Fermi Approach in the Flexible Atomic Code (FAC). This code has been applied to obtain energies, wave-functions and radiative rates modified by the plasma environment. In hydrogen-like ions, these numerical results have been successfully compared to an analytical calculation based on first-order perturbation theory. In the case of multi-electron ions, we observe level crossings in agreement with another recent model calculation. Various methods for the collision cross-section calculations are reviewed. The influence of plasma environment on these cross-sections is analyzed in detail. Some analytical expressions are proposed for hydrogen-like ions in the limit where Born or Lotz approximations apply and are compared to the numerical results from the FAC code. Finally, from this work, we study the influence of the plasma environment on our collisional-radiative model so-called Foch. Because of this environment, the mean charge state of the ions increases. The line shift is observed on the bound-bound emission spectra. A good agreement is found between our work and experimental data on a Titanium plasma. (author) [fr

  6. Second order classical perturbation theory for atom surface scattering: Analysis of asymmetry in the angular distribution

    Energy Technology Data Exchange (ETDEWEB)

    Zhou, Yun, E-mail: zhou.yun.x@gmail.com; Pollak, Eli, E-mail: eli.pollak@weizmann.ac.il [Chemical Physics Department, Weizmann Institute of Science, 76100 Rehovot (Israel); Miret-Artés, Salvador, E-mail: s.miret@iff.csic.es [Instituto de Fisica Fundamental, Consejo Superior de Investigaciones Cientificas, Serrano 123, 28006 Madrid (Spain)

    2014-01-14

    A second order classical perturbation theory is developed and applied to elastic atom corrugated surface scattering. The resulting theory accounts for experimentally observed asymmetry in the final angular distributions. These include qualitative features, such as reduction of the asymmetry in the intensity of the rainbow peaks with increased incidence energy as well as the asymmetry in the location of the rainbow peaks with respect to the specular scattering angle. The theory is especially applicable to “soft” corrugated potentials. Expressions for the angular distribution are derived for the exponential repulsive and Morse potential models. The theory is implemented numerically to a simplified model of the scattering of an Ar atom from a LiF(100) surface.

  7. Second order classical perturbation theory for atom surface scattering: analysis of asymmetry in the angular distribution.

    Science.gov (United States)

    Zhou, Yun; Pollak, Eli; Miret-Artés, Salvador

    2014-01-14

    A second order classical perturbation theory is developed and applied to elastic atom corrugated surface scattering. The resulting theory accounts for experimentally observed asymmetry in the final angular distributions. These include qualitative features, such as reduction of the asymmetry in the intensity of the rainbow peaks with increased incidence energy as well as the asymmetry in the location of the rainbow peaks with respect to the specular scattering angle. The theory is especially applicable to "soft" corrugated potentials. Expressions for the angular distribution are derived for the exponential repulsive and Morse potential models. The theory is implemented numerically to a simplified model of the scattering of an Ar atom from a LiF(100) surface.

  8. AtomPy: An Open Atomic Data Curation Environment for Astrophysical Applications

    Directory of Open Access Journals (Sweden)

    Claudio Mendoza

    2014-05-01

    Full Text Available We present a cloud-computing environment, referred to as AtomPy, based on Google-Drive Sheets and Pandas (Python Data Analysis Library DataFrames to promote community-driven curation of atomic data for astrophysical applications, a stage beyond database development. The atomic model for each ionic species is contained in a multi-sheet workbook, tabulating representative sets of energy levels, A-values and electron impact effective collision strengths from different sources. The relevant issues that AtomPy intends to address are: (i data quality by allowing open access to both data producers and users; (ii comparisons of different datasets to facilitate accuracy assessments; (iii downloading to local data structures (i.e., Pandas DataFrames for further manipulation and analysis by prospective users; and (iv data preservation by avoiding the discard of outdated sets. Data processing workflows are implemented by means of IPython Notebooks, and collaborative software developments are encouraged and managed within the GitHub social network. The facilities of AtomPy are illustrated with the critical assessment of the transition probabilities for ions in the hydrogen and helium isoelectronic sequences with atomic number Z ≤ 10.

  9. Intermittent contact atomic force microscopy in electrochemical environment

    Energy Technology Data Exchange (ETDEWEB)

    Haering, P; Koetz, R [Paul Scherrer Inst. (PSI), Villigen (Switzerland); Siegenthaler, H [Bern Univ., Bern (Switzerland)

    1997-06-01

    In situ measurements with Atomic Force Microscopy may cause surface modifications due to the tip-surface interactions. As an alternative and less destructive method, Intermittent Contact Atomic Force Microscopy (ICAFM) has been tested in an electrolytic environment. In the ICAFM mode the tip is not constantly in contact with the surface under investigation but is tapping onto the surface with a certain frequency. A commercial Park Scientific Instruments Microscopy has been modified to enable in situ experiment with ICAFM. It was possible to image iridium oxide films with ICAFM in the electrolytic environment without any noticeable surface modifications. (author) 3 figs., 4 refs.

  10. Non-perturbative solution of a quantum mechanical oscillator interacting with a specific environment

    International Nuclear Information System (INIS)

    Badralexe, E.; Gupta, R.K.; Scheid, W.

    1984-01-01

    A quantum mechanical model of an oscillator interacting linearly with an environment is treated by the method of perturbation series expansion. For a special class of environments and interactions, the series is summed up to all orders. An integral equation for the time dependence of the coordinate operator of the oscillator is obtained, which is solved analytically by the method of Laplace transformations. General conditions are stated for a dissipative behaviour of the special class of environments considered. An example, which is widely applicable, is discussed. (author)

  11. Non-perturbative methods applied to multiphoton ionization

    International Nuclear Information System (INIS)

    Brandi, H.S.; Davidovich, L.; Zagury, N.

    1982-09-01

    The use of non-perturbative methods in the treatment of atomic ionization is discussed. Particular attention is given to schemes of the type proposed by Keldysh where multiphoton ionization and tunnel auto-ionization occur for high intensity fields. These methods are shown to correspond to a certain type of expansion of the T-matrix in the intra-atomic potential; in this manner a criterium concerning the range of application of these non-perturbative schemes is suggested. A brief comparison between the ionization rate of atoms in the presence of linearly and circularly polarized light is presented. (Author) [pt

  12. Optical perturbation of atoms in weak localization

    Science.gov (United States)

    Yedjour, A.

    2018-01-01

    We determine the microscopic transport parameters that are necessary to describe the diffusion process of the atomic gas in optical speckle. We use the self-consistent theory to calculate the self-energy of the atomic gas. We compute the spectral function numerically by an average over disorder realizations in terms of the Greens function. We focus mainly on the behaviour of the energy distribution of the atoms to estimate a correction to the mobility edge. Our results show that the energy distribution of the atoms locates the mobility edge position under the disorder amplitude. This behaviour changes for each disorder parameter. We conclude that the disorder amplitude potential induced modification of the energy distribution of the atoms that plays a major role for the prediction of the mobility edge.

  13. Inner-shell correlations and Sturm expansions in coupled perturbation calculations of atomic systems

    International Nuclear Information System (INIS)

    Sherstyuk, A.I.; Solov'eva, G.S.

    1995-01-01

    It is shown that virtual Hartree-Fock orbitals in Sturm-type expansions can be used to calculate the response of atomic systems to an external field within the framework of the coupled perturbation theory with allowance for correlation effects. The corrected electron-electron interaction in a system with field-distorted orbitals is considered by adding a nonlocal potential to a one-electron Hartree-Fock operator within each group of equivalent elections. The remaining correlation effects are calculated by solving a system of equations for corrections to the radial functions. The system is solved iteratively, with each subsequent iteration corresponding to a correction of an increasingly higher order in the electron--electron interaction. The explicit expression derived for the polarizability contains one-and two-particle radial integrals of the Sturm functions

  14. Environment. 1980-1994. International Atomic Energy Agency publications

    International Nuclear Information System (INIS)

    1995-06-01

    The catalogue lists all publications of the International Atomic Energy Agency dealing with the Environment issued during the period 1980-1993. The major subjects covered include: effect of agrochemical residues on soils and aquatic ecosystems, application of radioisotopes in conservation of the environment, siting of nuclear power plants, environmental isotope data and environmental contamination due to nuclear accidents

  15. Atoms, Nature, and Man; Man-made Radioactivity in the Environment

    Energy Technology Data Exchange (ETDEWEB)

    Hines, Neal O.

    1966-01-01

    This booklet describes the environmental investigations that have been conducted with the aid of the atom since the first atomic detonation near Alamogordo, New Mexico, in 1945. The earth's mysteries, however, are not easily unlocked, and investigations of our environment with atomic tools have only begun. The story thus is one of beginnings but of beginnings that point the way, it is hoped, to a new understanding of the world in the atomic future.

  16. Quantum system under periodic perturbation: Effect of environment

    International Nuclear Information System (INIS)

    Hotta, M.; Joichi, I.; Matsumoto, S.; Yoshimura, M.

    1997-01-01

    In many physical situations the behavior of a quantum system is affected by interaction with a larger environment. We develop, using the method of an influence functional, how to deduce the density matrix of the quantum system incorporating the effect of environment. After introducing the characterization of the environment by spectral weight, we first devise schemes to approximate the spectral weight, and then a perturbation method in field theory models, in order to approximately describe the environment. All of these approximate models may be classified as extended Ohmic models of dissipation whose differences are in the high frequency part. The quantum system we deal with in the present work is a general class of harmonic oscillators with an arbitrary time-dependent frequency. The late time behavior of the system is well described by an approximation that employs a localized friction in the dissipative part of the correlation function appearing in the influence functional. The density matrix of the quantum system is then determined in terms of a single classical solution obtained with the time-dependent frequency. With this one can compute the entropy, the energy distribution function, and other physical quantities of the system in a closed form. A specific application is made to the case of a periodically varying frequency. This dynamical system has a remarkable property when the environmental interaction is switched off: The effect of the parametric resonance gives rise to an exponential growth of the populated number in higher excitation levels, or particle production in field theory models. The effect of the environment is investigated for this dynamical system and it is demonstrated that there exists a critical strength of the friction for the parametric effect. (Abstract Truncated)

  17. Gravitational perturbations of the hydrogen atom

    International Nuclear Information System (INIS)

    Parker, L.

    1983-01-01

    The strength of a gravitational field is characterized by the Riemann curvature tensor. It is of interest to know how the curvature of space-time at the position of an atom affects its spectrum. The author gives a brief summary of work on the effects of curvature on the hydrogen atom. The results refer to an arbitrary metric and can be evaluated for particular space-times of interest. The possibility of using the effect of gravitational waves on the electromagnetic spectrum of hydrogen as a means of detecting gravitational waves is also investigated. (Auth.)

  18. Z-1 perturbation theory applied to the correlation energy problem of atoms

    International Nuclear Information System (INIS)

    Robinson, B.H.

    1975-01-01

    Rayleigh--Schroedinger Perturbation Theory is applied to obtain directly exact and explicit analytic formulas for the electron correlation energies of N electron systems in terms of their pairwise interactions through second order in Z -1 , where Z is the nucleus of the atom. It is demonstrated that the second order correlation energy may be expressed as exactly the sum of pairwise correlation energies. In the case of no zeroth order degeneracy, the zeroth and first order terms vanish. The expression for the pairwise energies is an infinite sum, all terms of which are of the same sign. There is no numerical differencing. In the case of zeroth order degeneracy it is shown that the above statement concerning the second order energy still holds, but the expressions are a bit more complicated. It is shown that they ''almost'' reduce to a much simpler form. Also, the computation of the first order correlation energy is considered

  19. Laplace-transformed atomic orbital-based Møller–Plesset perturbation theory for relativistic two-component Hamiltonians

    Energy Technology Data Exchange (ETDEWEB)

    Helmich-Paris, Benjamin, E-mail: b.helmichparis@vu.nl; Visscher, Lucas, E-mail: l.visscher@vu.nl [Section of Theoretical Chemistry, VU University Amsterdam, De Boelelaan 1083, 1081 HV Amsterdam (Netherlands); Repisky, Michal, E-mail: michal.repisky@uit.no [CTCC, Department of Chemistry, UIT The Arctic University of Norway, N-9037 Tromø (Norway)

    2016-07-07

    We present a formulation of Laplace-transformed atomic orbital-based second-order Møller–Plesset perturbation theory (MP2) energies for two-component Hamiltonians in the Kramers-restricted formalism. This low-order scaling technique can be used to enable correlated relativistic calculations for large molecular systems. We show that the working equations to compute the relativistic MP2 energy differ by merely a change of algebra (quaternion instead of real) from their non-relativistic counterparts. With a proof-of-principle implementation we study the effect of the nuclear charge on the magnitude of half-transformed integrals and show that for light elements spin-free and spin-orbit MP2 energies are almost identical. Furthermore, we investigate the effect of separation of charge distributions on the Coulomb and exchange energy contributions, which show the same long-range decay with the inter-electronic/atomic distance as for non-relativistic MP2. A linearly scaling implementation is possible if the proper distance behavior is introduced to the quaternion Schwarz-type estimates as for non-relativistic MP2.

  20. Laplace-transformed atomic orbital-based Møller–Plesset perturbation theory for relativistic two-component Hamiltonians

    International Nuclear Information System (INIS)

    Helmich-Paris, Benjamin; Visscher, Lucas; Repisky, Michal

    2016-01-01

    We present a formulation of Laplace-transformed atomic orbital-based second-order Møller–Plesset perturbation theory (MP2) energies for two-component Hamiltonians in the Kramers-restricted formalism. This low-order scaling technique can be used to enable correlated relativistic calculations for large molecular systems. We show that the working equations to compute the relativistic MP2 energy differ by merely a change of algebra (quaternion instead of real) from their non-relativistic counterparts. With a proof-of-principle implementation we study the effect of the nuclear charge on the magnitude of half-transformed integrals and show that for light elements spin-free and spin-orbit MP2 energies are almost identical. Furthermore, we investigate the effect of separation of charge distributions on the Coulomb and exchange energy contributions, which show the same long-range decay with the inter-electronic/atomic distance as for non-relativistic MP2. A linearly scaling implementation is possible if the proper distance behavior is introduced to the quaternion Schwarz-type estimates as for non-relativistic MP2.

  1. Many body perturbation calculations of photoionization

    International Nuclear Information System (INIS)

    Kelly, H.P.

    1979-01-01

    The application of many body perturbation theory to the calculation of atomic photoionization cross sections is reviewed. The choice of appropriate potential for the single-particle state is discussed and results are presented for several atoms including resonance structure. In addition to single photoionization, the process of double photoionization is considered and is found to be significant. (Auth.)

  2. Environment. 1990-2001. International Atomic Energy Agency publications

    International Nuclear Information System (INIS)

    2001-05-01

    This catalog lists all sales publications of the International Atomic Energy Agency dealing with the Environment, and issued during the period 1 January 1990 - 30 April 2001. Most publications are issued in English, though some are also available in other languages. These are noted in the catalogue

  3. Resonance interaction energy between two entangled atoms in a photonic bandgap environment.

    Science.gov (United States)

    Notararigo, Valentina; Passante, Roberto; Rizzuto, Lucia

    2018-03-26

    We consider the resonance interaction energy between two identical entangled atoms, where one is in the excited state and the other in the ground state. They interact with the quantum electromagnetic field in the vacuum state and are placed in a photonic-bandgap environment with a dispersion relation quadratic near the gap edge and linear for low frequencies, while the atomic transition frequency is assumed to be inside the photonic gap and near its lower edge. This problem is strictly related to the coherent resonant energy transfer between atoms in external environments. The analysis involves both an isotropic three-dimensional model and the one-dimensional case. The resonance interaction asymptotically decays faster with distance compared to the free-space case, specifically as 1/r 2 compared to the 1/r free-space dependence in the three-dimensional case, and as 1/r compared to the oscillatory dependence in free space for the one-dimensional case. Nonetheless, the interaction energy remains significant and much stronger than dispersion interactions between atoms. On the other hand, spontaneous emission is strongly suppressed by the environment and the correlated state is thus preserved by the spontaneous-decay decoherence effects. We conclude that our configuration is suitable for observing the elusive quantum resonance interaction between entangled atoms.

  4. Correlation corrections to the Hartree-Fock perturbation theory of atomic and molecular properties. Dipole polarizabilities of He, Be and Ne

    International Nuclear Information System (INIS)

    Sadlej, A.J.

    1980-01-01

    The problem of the most efficient perturbation calculation of the correlation contributions to atomic and molecular properties is discussed. The method which is based on the coupled Hartree-Fock (CHF) perturbation theory appears to be the most promising one. The CHF-based perturbation theory of correlation effects is applied to the calculation of the second-order correlation contributions to the electric dipole polarizabilities of He, Be and Ne. The numerical approach employed in this paper consists in computing first the electric-field-dependent SCF functions. Then, the field dependent second-order correlation energy is calculated. The electric dipole polarizabilities, accurate through the second-order in correlation, are obtained via the numerical differentiation of the field-dependent energies with respect to the external electric field strength. In order to avoid the use of very large basis sets the so-called electric-field-variant (EFV) orbitals are employed in the present study. The CHF results obtained in this paper are of the same accuracy as the best literature data. In addition of the second-order correlation correction the final values of the electric dipole polarizability differ from the accurate or experimental results by less than a few per cent. (author)

  5. Screening of Coulomb interaction and many-body perturbation theory in atoms

    International Nuclear Information System (INIS)

    Dzyuba, V.A.; Flambaum, V.V.; Sil'vestrov, P.G.; Sushkov, O.P.

    1988-01-01

    Taking into account the electron Coulomb interaction screening considerably improves the convergence of perturbation theory in residual interaction. The developed technique allows to take into account screening diagrams in all orders of perturbation theory. Calculation of the correlation corrections to the thallium energy levels is carried out as an example

  6. Effects of the atomic environment on the electron binding energies in samarium

    Czech Academy of Sciences Publication Activity Database

    Inoyatov, A. K.; Kovalík, Alojz; Filosofov, D. V.; Ryšavý, Miloš; Vénos, Drahoslav; Yushkevich, Y. V.; Perevoshchikov, L. L.; Zhdanov, V. S.

    2016-01-01

    Roč. 207, FEB (2016), s. 38-49 ISSN 0368-2048 R&D Projects: GA ČR(CZ) GAP203/12/1896; GA MŠk LG14004 Institutional support: RVO:61389005 Keywords : Sm-149 * atomic environment * electron ginding energy * intermediate-valence state * chemical shift * natural atomic level width Subject RIV: BG - Nuclear, Atomic and Molecular Physics, Colliders Impact factor: 1.661, year: 2016

  7. Near relativistic study of binded levels in atoms. Application to alkaline atoms

    International Nuclear Information System (INIS)

    Varade, A.; Delgado-Barrio, G.; Villarreal, P.

    1985-01-01

    A model is described for the calculation of the atomic binding energies. The Pauli equation has been solved with a local potential. The results for alkaline atoms are reported here and compared with the perturbative calculation and experimental data. (author)

  8. Population dynamics of excited atoms in non-Markovian environments at zero and finite temperature

    International Nuclear Information System (INIS)

    Zou Hong-Mei; Fang Mao-Fa

    2015-01-01

    The population dynamics of a two-atom system, which is in two independent Lorentzian reservoirs or in two independent Ohmic reservoirs respectively, where the reservoirs are at zero temperature or finite temperature, is studied by using the time-convolutionless master-equation method. The influences of the characteristics and temperature of a non-Markovian environment on the population of the excited atoms are analyzed. We find that the population trapping of the excited atoms is related to the characteristics and the temperature of the non-Markovian environment. The results show that, at zero temperature, the two atoms can be effectively trapped in the excited state both in the Lorentzian reservoirs and in the Ohmic reservoirs. At finite temperature, the population of the excited atoms will quickly decay to a nonzero value. (paper)

  9. A (201)Hg+ Comagnetometer for (199)Hg+ Trapped Ion Space Atomic Clocks

    Science.gov (United States)

    Burt, Eric A.; Taghavi, Shervin; Tjoelker, Robert L.

    2011-01-01

    A method has been developed for unambiguously measuring the exact magnetic field experienced by trapped mercury ions contained within an atomic clock intended for space applications. In general, atomic clocks are insensitive to external perturbations that would change the frequency at which the clocks operate. On a space platform, these perturbative effects can be much larger than they would be on the ground, especially in dealing with the magnetic field environment. The solution is to use a different isotope of mercury held within the same trap as the clock isotope. The magnetic field can be very accurately measured with a magnetic-field-sensitive atomic transition in the added isotope. Further, this measurement can be made simultaneously with normal clock operation, thereby not degrading clock performance. Instead of using a conventional magnetometer to measure ambient fields, which would necessarily be placed some distance away from the clock atoms, first order field-sensitive atomic transition frequency changes in the atoms themselves determine the variations in the magnetic field. As a result, all ambiguity over the exact field value experienced by the atoms is removed. Atoms used in atomic clocks always have an atomic transition (often referred to as the clock transition) that is sensitive to magnetic fields only in second order, and usually have one or more transitions that are first-order field sensitive. For operating parameters used in the (199)Hg(+) clock, the latter can be five orders of magnitude or more sensitive to field fluctuations than the clock transition, thereby providing an unambiguous probe of the magnetic field strength.

  10. Atom electron scattering

    International Nuclear Information System (INIS)

    Santoso, B.

    1976-01-01

    Green Lippmann-Schwinger functions operator representations, derivation of perturbation method using Green function and atom electron scattering, are discussed. It is concluded that by using complex coordinate places where resonances occur, can be accurately identified. The resonance can be processed further for practical purposes, for example for the separation of atom. (RUW)

  11. Quantum-mechanical transport equation for atomic systems.

    Science.gov (United States)

    Berman, P. R.

    1972-01-01

    A quantum-mechanical transport equation (QMTE) is derived which should be applicable to a wide range of problems involving the interaction of radiation with atoms or molecules which are also subject to collisions with perturber atoms. The equation follows the time evolution of the macroscopic atomic density matrix elements of atoms located at classical position R and moving with classical velocity v. It is quantum mechanical in the sense that all collision kernels or rates which appear have been obtained from a quantum-mechanical theory and, as such, properly take into account the energy-level variations and velocity changes of the active (emitting or absorbing) atom produced in collisions with perturber atoms. The present formulation is better suited to problems involving high-intensity external fields, such as those encountered in laser physics.

  12. Novel hybrid adaptive controller for manipulation in complex perturbation environments.

    Directory of Open Access Journals (Sweden)

    Alex M C Smith

    Full Text Available In this paper we present a hybrid control scheme, combining the advantages of task-space and joint-space control. The controller is based on a human-like adaptive design, which minimises both control effort and tracking error. Our novel hybrid adaptive controller has been tested in extensive simulations, in a scenario where a Baxter robot manipulator is affected by external disturbances in the form of interaction with the environment and tool-like end-effector perturbations. The results demonstrated improved performance in the hybrid controller over both of its component parts. In addition, we introduce a novel method for online adaptation of learning parameters, using the fuzzy control formalism to utilise expert knowledge from the experimenter. This mechanism of meta-learning induces further improvement in performance and avoids the need for tuning through trial testing.

  13. High-energy atomic physics

    CERN Document Server

    Drukarev, Evgeny G

    2016-01-01

    This self-contained text introduces readers to the field of high-energy atomic physics - a new regime of photon-atom interactions in which the photon energies significantly exceed the atomic or molecular binding energies, and which opened up with the recent advent of new synchrotron sources. From a theoretical point of view, a small-parameter characteristic of the bound system emerged, making it possible to perform analytic perturbative calculations that can in turn serve as benchmarks for more powerful numerical computations. The first part of the book introduces readers to the foundations of this new regime and its theoretical treatment. In particular, the validity of the small-parameter perturbation expansion and of the lowest-order approximation is critically reviewed. The following chapters then apply these insights to various atomic processes, such as photoionization as a many-body problem, dominant mechanisms for the production of ions at higher energies, Compton scattering and ionization accompanied b...

  14. Nuclear electric dipole moment with relativistic effects in Xe and Hg atoms

    International Nuclear Information System (INIS)

    Oshima, Sachiko; Fujita, Takehisa; Asaga, Tomoko

    2007-01-01

    The atomic electric dipole moment (EDM) is evaluated by considering the relativistic effects as well as nuclear finite size effects in Xe and Hg atomic systems. Due to Schiff's theorem, the first order perturbation energy of EDM is canceled out by the second order perturbation energy for the point nucleus. The nuclear finite size effects arising from the intermediate atomic excitations may be finite for deformed nucleus but it is extremely small. The finite size contribution of the intermediate nuclear excitations in the second order perturbation energy is completely canceled by the third order perturbation energy. As the results, the finite contribution to the atomic EDM comes from the first order perturbation energy of relativistic effects, and it amounts to around 0.3 and 0.4 percents of the neutron EDM d n for Xe and Hg, respectively, though the calculations are carried out with a simplified single-particle nuclear model. From this relation in Hg atomic system, we can extract the neutron EDM which is found to be just comparable with the direct neutron EDM measurement

  15. Correlation effects of third-order perturbation in the extended Hubbard model

    International Nuclear Information System (INIS)

    Wei, G.Z.; Nie, H.Q.; Li, L.; Zhang, K.Y.

    1989-01-01

    Using the local approach, a third-order perturbation calculation has been performed to investigate the effects of intra-atomic electron correlation and electron and spin correlation between nearest neighbour sites in the extended Hubbard model. It was found that significant correction of the third order over the second order results and, in comparison with the results of the third-order perturbation where only the intra-atomic electron correlation is included, the influence of the electron and spin correlation between nearest neighbour sites on the correlation energy is non-negligible. 17 refs., 3 figs

  16. Relativistic heavy-atom effects on heavy-atom nuclear shieldings

    Science.gov (United States)

    Lantto, Perttu; Romero, Rodolfo H.; Gómez, Sergio S.; Aucar, Gustavo A.; Vaara, Juha

    2006-11-01

    The principal relativistic heavy-atom effects on the nuclear magnetic resonance (NMR) shielding tensor of the heavy atom itself (HAHA effects) are calculated using ab initio methods at the level of the Breit-Pauli Hamiltonian. This is the first systematic study of the main HAHA effects on nuclear shielding and chemical shift by perturbational relativistic approach. The dependence of the HAHA effects on the chemical environment of the heavy atom is investigated for the closed-shell X2+, X4+, XH2, and XH3- (X =Si-Pb) as well as X3+, XH3, and XF3 (X =P-Bi) systems. Fully relativistic Dirac-Hartree-Fock calculations are carried out for comparison. It is necessary in the Breit-Pauli approach to include the second-order magnetic-field-dependent spin-orbit (SO) shielding contribution as it is the larger SO term in XH3-, XH3, and XF3, and is equally large in XH2 as the conventional, third-order field-independent spin-orbit contribution. Considering the chemical shift, the third-order SO mechanism contributes two-thirds of the difference of ˜1500ppm between BiH3 and BiF3. The second-order SO mechanism and the numerically largest relativistic effect, which arises from the cross-term contribution of the Fermi contact hyperfine interaction and the relativistically modified spin-Zeeman interaction (FC/SZ-KE), are isotropic and practically independent of electron correlation effects as well as the chemical environment of the heavy atom. The third-order SO terms depend on these factors and contribute both to heavy-atom shielding anisotropy and NMR chemical shifts. While a qualitative picture of heavy-atom chemical shifts is already obtained at the nonrelativistic level of theory, reliable shifts may be expected after including the third-order SO contributions only, especially when calculations are carried out at correlated level. The FC/SZ-KE contribution to shielding is almost completely produced in the s orbitals of the heavy atom, with values diminishing with the principal

  17. A study on development strategy of atomic safety organization for atomic environment

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Sung Bok; Jeong, Ji Hun; Kim Tae Hee; Lee, Seung Hyuk; Woo, Eun Jung [Konkuk Univ., Seoul (Korea, Republic of)

    2005-02-15

    The objective of this research is to suggest some strategies which can make the safety of atomic power possible and reinforce the nuclear regulatory system. It will contribute to the expansion and settlement of nuclear safety culture by making the public understand well about the safety of nuclear energy, and searching public relations and incentive strategies. In addition, since the nuclear environment is changing rapidly, the necessity of cooperation between the public and the private has veen mostly required. So we need to develop the effective administrative system based on their cooperation. Therefore, it will examine the function of organization established, operation system, and also social network closely connected with the nuclear safety. Moreover, by analyzing the change of regulatory environment and present safety confirmation of nuclear energy, it will devise the new safety confirmation system of nuclear energy.

  18. Complete classification of qualitatively different perturbations of the hydrogen atom in weak near-orthogonal electric and magnetic fields

    Energy Technology Data Exchange (ETDEWEB)

    Efstathiou, K; Lukina, O V [Department of Mathematics, University of Groningen, Groningen 9700 AK (Netherlands); SadovskiI, D A [Departement de physique, Universite du Littoral, 59140 Dunkerque (France)], E-mail: K.Efstathiou@rug.nl, E-mail: O.Lukina@math.rug.nl, E-mail: sadovski@univ-littoral.fr

    2009-02-06

    We consider perturbations of the hydrogen atom by sufficiently small homogeneous static electric and magnetic fields in near-orthogonal configurations. Normalization of the Keplerian symmetry reveals that in the parameter space such systems belong in a 'zone' of systems close to the 1:1 resonance, the latter corresponding to the exactly orthogonal configuration. Integrable approximations obtained from second normalization of systems in the 1:1 zone are classified into several different qualitative types, many of which possess nontrivial monodromy. We compute monodromy of the complete three-dimensional energy-momentum map, compare the joint quantum spectrum to classical bifurcation diagrams, and show the effect of second normalization to the joint spectrum.

  19. Relativistic many-body perturbation-theory calculations based on Dirac-Fock-Breit wave functions

    International Nuclear Information System (INIS)

    Ishikawa, Y.; Quiney, H.M.

    1993-01-01

    A relativistic many-body perturbation theory based on the Dirac-Fock-Breit wave functions has been developed and implemented by employing analytic basis sets of Gaussian-type functions. The instantaneous Coulomb and low-frequency Breit interactions are treated using a unified formalism in both the construction of the Dirac-Fock-Breit self-consistent-field atomic potential and in the evaluation of many-body perturbation-theory diagrams. The relativistic many-body perturbation-theory calculations have been performed on the helium atom and ions of the helium isoelectronic sequence up to Z=50. The contribution of the low-frequency Breit interaction to the relativistic correlation energy is examined for the helium isoelectronic sequence

  20. Nonlinear spectroscopy of the Rydberg atoms

    International Nuclear Information System (INIS)

    Delone, N.B.; Krajnov, V.P.; Shepelyanskij, D.L.

    1984-01-01

    The results of investigation into perturbation of Rydberg states (RS) of atoms in an outer alternating field (OAF) are discussed. Both highly excited states of hydrogen atom at the energy Esub(n)=-1/2n -2 (n>>1 - basic quantum number) and excited states of compound atoms with energy Esub(nl)=-1/2(n*) -2 where n*=n-delta sub(e)-effective basic quantum number, delta sub(e)-quantum defect, are implied by RS. Perturbation of atomic state in the OAF is determined not only by field strength E, but by its frequency ω as well. During OAF inclusion the initial state Esub(lambda) transits to quasienergetic at the energy Esub(lambda)(E)+-kω, where K=0, +-1, +-2, .... Solutions of the problem of quasienergetic level population is obtained only for some simple particular cases. A simple case, when a real multilevel atom is replaced by a model system comprising one bound electron state with the basic quantum number n-model of the insulated level (MIL) is considered. Conditions of MIL applicability are discussed. Estimation of critical OAF strength at which MIL approximation becomes faulty are discussed. It is stated that any consideration of RS perturbation in OAF claiming to exceeding MIL frames should comprise consideration of ionization processes. If one keeps to the frames of OAF; the strength of which is lower than the determined critical values then MIL is true and use of this model permits to correctly describe the main features of RS perturbation in an alternating field

  1. Electromagnetic couplings of the chiral perturbation theory Lagrangian from the perturbative chiral quark model

    International Nuclear Information System (INIS)

    Lyubovitskij, V.E.; Gutsche, Th.; Faessler, Amand; Mau, R. Vinh

    2002-01-01

    We apply the perturbative chiral quark model to the study of the low-energy πN interaction. Using an effective chiral Lagrangian we reproduce the Weinberg-Tomozawa result for the S-wave πN scattering lengths. After inclusion of the photon field we give predictions for the electromagnetic O(p 2 ) low-energy couplings of the chiral perturbation theory effective Lagrangian that define the electromagnetic mass shifts of nucleons and first-order (e 2 ) radiative corrections to the πN scattering amplitude. Finally, we estimate the leading isospin-breaking correction to the strong energy shift of the π - p atom in the 1s state, which is relevant for the experiment 'pionic hydrogen' at PSI

  2. Photoionization cross sections and Auger rates calculated by many-body perturbation theory

    International Nuclear Information System (INIS)

    Kelly, H.P.

    1976-01-01

    Methods for applying the many body perturbation theory to atomic calculations are discussed with particular emphasis on calculation of photoionization cross sections and Auger rates. Topics covered include: Rayleigh--Schroedinger theory; many body perturbation theory; calculations of photoionization cross sections; and Auger rates

  3. Environment, 1986-1997. International Atomic Energy Agency publications

    International Nuclear Information System (INIS)

    1998-04-01

    This catalogue lists all sales publications of the International Atomic Energy Agency dealing with Environment and issued during the period of 1986-1997. Some earlier titles which form part of an established series or are still considered of importance have been included. Most publications are in English. Proceedings of conferences, symposia and panels of experts may contain papers in languages other than English, but all of these papers have abstracts in English

  4. Construction of high-dimensional neural network potentials using environment-dependent atom pairs.

    Science.gov (United States)

    Jose, K V Jovan; Artrith, Nongnuch; Behler, Jörg

    2012-05-21

    An accurate determination of the potential energy is the crucial step in computer simulations of chemical processes, but using electronic structure methods on-the-fly in molecular dynamics (MD) is computationally too demanding for many systems. Constructing more efficient interatomic potentials becomes intricate with increasing dimensionality of the potential-energy surface (PES), and for numerous systems the accuracy that can be achieved is still not satisfying and far from the reliability of first-principles calculations. Feed-forward neural networks (NNs) have a very flexible functional form, and in recent years they have been shown to be an accurate tool to construct efficient PESs. High-dimensional NN potentials based on environment-dependent atomic energy contributions have been presented for a number of materials. Still, these potentials may be improved by a more detailed structural description, e.g., in form of atom pairs, which directly reflect the atomic interactions and take the chemical environment into account. We present an implementation of an NN method based on atom pairs, and its accuracy and performance are compared to the atom-based NN approach using two very different systems, the methanol molecule and metallic copper. We find that both types of NN potentials provide an excellent description of both PESs, with the pair-based method yielding a slightly higher accuracy making it a competitive alternative for addressing complex systems in MD simulations.

  5. Description of the general properties of pionic atoms

    International Nuclear Information System (INIS)

    Cervantes S, B.R.

    1979-01-01

    The effects of the finite dimension of the nucleus and the strong interaction effects in the energy levels ls and 2p of pionic atoms are considered. The energy transition between these two levels are calculated using the method of perturbations of first order, considering a uniform distribution of nuclear charge, for the effect of the finite dimension of the nucleus and one local optical potential as a model for the strong interaction. The calculations were realized for 13 elements and the results were compared with the experimentally obtained, founding a relative difference around of 4%. In conclusion the author observed that the effects of the finite dimension and the strong interaction can be considered as first order perturbations in light atoms, and for heavy atoms this effects can be considered as of second order or higher perturbations. (author)

  6. Interaction and dynamics of add-atoms with 2-dimensional structures

    CERN Multimedia

    The interaction and dynamics of add-atoms with graphene, graphene-derivate structures and, later, MoSi$_2$, two-dimensional – single and few – atomic layers will be studied with the Perturbed Angular Correlation – PAC – technique. Graphene is also envisaged as new platform for growing semiconductor nanostructure devices, such as quantum dots and as a particularly powerful catalyst. Understanding nucleation of nanostructures and clusters on graphene and related phases in wet conditions as they are used in chemical methods in research and industry require complementary studies. These systems will therefore be studied systematically using radioactive probe atoms attaching via a transfer media (e.g., water in catalysis process) or being deposited with soft-landing techniques under vacuum and UHV conditions, as put in place at the ASPIC setup at ISOLDE. The hyperfine fields obtained under different environments are expected to reveal basic information on the rich atomic and physical mechanisms associated w...

  7. Could Atomic clocks be affected by neutrinos?

    CERN Document Server

    Hanafi, Hanaa

    2016-01-01

    An atomic clock is a clock device that uses an electronic transition frequency of the electromagnetic spectrum of atoms as a frequency standard in order to derive a time standard since time is the reciprocal of frequency. If the electronic transition frequencies are in an "optical region", we are talking in this case about optical atomic clocks. If they are in an "microwave region" these atomic clocks are made of the metallic element cesium so they are called Cesium atomic clocks. Atomic clocks are the most accurate time and frequency standards known despite the different perturbations that can affect them, a lot of researches were made in this domain to show how the transitions can be different for different type of perturbations..Since atomic clocks are very sensitive devices, based on coherent states (A coherent state tends to loose coherence after interacting). One question can arise (from a lot of questions) which is why cosmic neutrinos are not affecting these clocks? The answer to this question requir...

  8. Study of molybdenum oxide by means of Perturbed Angular Correlations (PAC) and Mössbauer spectroscopy

    CERN Multimedia

    Among transition-metal oxides, the molybdenum oxide compounds are particularly attractive due to the structural (2D) anisotropy and to the ability of the molybdenum ion to change its oxidation state. These properties make it suitable for applications on, e.g., chemical sensors, solar cells, catalytic and optoelectronic devices. At ISOLDE we aim studying the incorporation of selected dopants by ion implantation, using the nuclear techniques of Perturbed Angular Correlations (PAC) and Mössbauer spectroscopy (MS). Both techniques make use of highly diluted radioactive probe nuclei, which interact – as atomic-sized tips – with the host atoms and defects. The objectives of this project are to study at the atomic scale the probe’s local environment, its electronic configuration and polarization, the probe’s lattice sites, point defects and its recombination dynamics. In the case of e-$\\gamma$ PAC, the electron mobility on the host can be further studied, e.g., as a function of temperature.

  9. Efficient atomization of cesium metal in solid helium by low energy (10 μJ) femtosecond pulses

    Science.gov (United States)

    Melich, M.; Dupont-Roc, J.; Jacquier, Ph.

    2009-10-01

    Metal atoms in solid and liquid helium-4 have attracted some interest either as a way to keep the atoms in a weakly perturbing matrix, or using them as a probe for the helium host medium. Laser sputtering with nanosecond pulsed lasers is the most often used method for atom production, resulting however in a substantial perturbation of the matrix. We show that a much weaker perturbation can be obtained by using femtosecond laser pulses with energy as low as 10 μJ. As an unexpected benefit, the atomic density produced is much higher.

  10. On the systematic construction of convergent perturbation series

    International Nuclear Information System (INIS)

    Schmidt, C.

    1993-12-01

    Starting from the general decomposition of the many-body Hamiltonian parametrized by an operator Λwe derive the class of 'Λ-transformed' perturbation series. Aiming at practical applications we consider many-body perturbation theory of atoms and molecules in finite dimensional Hilbert spaces. Investigation of the analyticity properties of the eigenvalues and eigenstates of the Hamiltonian as functions of the coupling parameter defined by the particular decomposition of H allows for the construction of (minimal) Λoperators mapping an originally divergent series to a convergent one. There exists an operator Λ opt leading to the exact results in first order. Further improvements of the above mentioned minimal Λoperators can be achieved by approximations of Λ opt leading to fast convergent perturbation series. As the size of the remaining perturbation is given by the Λoperator chosen this method provides an a priori estimate of the convergence properties. (orig.)

  11. The atomic simulation environment-a Python library for working with atoms.

    Science.gov (United States)

    Hjorth Larsen, Ask; Jørgen Mortensen, Jens; Blomqvist, Jakob; Castelli, Ivano E; Christensen, Rune; Dułak, Marcin; Friis, Jesper; Groves, Michael N; Hammer, Bjørk; Hargus, Cory; Hermes, Eric D; Jennings, Paul C; Bjerre Jensen, Peter; Kermode, James; Kitchin, John R; Leonhard Kolsbjerg, Esben; Kubal, Joseph; Kaasbjerg, Kristen; Lysgaard, Steen; Bergmann Maronsson, Jón; Maxson, Tristan; Olsen, Thomas; Pastewka, Lars; Peterson, Andrew; Rostgaard, Carsten; Schiøtz, Jakob; Schütt, Ole; Strange, Mikkel; Thygesen, Kristian S; Vegge, Tejs; Vilhelmsen, Lasse; Walter, Michael; Zeng, Zhenhua; Jacobsen, Karsten W

    2017-07-12

    The atomic simulation environment (ASE) is a software package written in the Python programming language with the aim of setting up, steering, and analyzing atomistic simulations. In ASE, tasks are fully scripted in Python. The powerful syntax of Python combined with the NumPy array library make it possible to perform very complex simulation tasks. For example, a sequence of calculations may be performed with the use of a simple 'for-loop' construction. Calculations of energy, forces, stresses and other quantities are performed through interfaces to many external electronic structure codes or force fields using a uniform interface. On top of this calculator interface, ASE provides modules for performing many standard simulation tasks such as structure optimization, molecular dynamics, handling of constraints and performing nudged elastic band calculations.

  12. Physics in Screening Environments

    Science.gov (United States)

    Certik, Ondrej

    In the current study, we investigated atoms in screening environments like plasmas. It is common practice to extract physical data, such as temperature and electron densities, from plasma experiments. We present results that address inherent computational difficulties that arise when the screening approach is extended to include the interaction between the atomic electrons. We show that there may arise an ambiguity in the interpretation of physical properties, such as temperature and charge density, from experimental data due to the opposing effects of electron-nucleus screening and electron-electron screening. The focus of the work, however, is on the resolution of inherent computational challenges that appear in the computation of two-particle matrix elements. Those enter already at the Hartree-Fock level. Furthermore, as examples of post Hartree-Fock calculations, we show second-order Green's function results and many body perturbation theory results of second order. A self-contained derivation of all necessary equations has been included. The accuracy of the implementation of the method is established by comparing standard unscreened results for various atoms and molecules against literature for Hartree-Fock as well as Green's function and many body perturbation theory. The main results of the thesis are presented in the chapter called Screened Results, where the behavior of several atomic systems depending on electron-electron and electron-nucleus Debye screening was studied. The computer code that we have developed has been made available for anybody to use. Finally, we present and discuss results obtained for screened interactions. We also examine thoroughly the computational details of the calculations and particular implementations of the method.

  13. Atomic interferometry: construction, characterisation and optimisation of an interferometer. Application to precision measurements

    International Nuclear Information System (INIS)

    Buechner, Matthias

    2010-01-01

    This manuscript describes my research activity in atom interferometry. As an introduction to this domain, we have first described some atom interferometers and their applications. We then describe the atom interferometer we have developed in Toulouse. This is a Mach-Zehnder atom interferometer; the atom source is a thermal supersonic lithium beam and atom manipulation is based on laser diffraction in the Bragg regime. This two interferometer arms are spatially separated, with a maximum distance near 100 μm. The interferometer performances are excellent, with a fringe visibility as large as 84.5 % and a high output flux, thus providing a phase sensitivity of 15 mrad √(Hz). We have used this interferometer for several experiments, with a perturbation applied on only one interferometer arm. When the perturbation is an electric field, we thus measure the electric polarizability of lithium, with an uncertainty 3 times smaller than the best previous measurement. When the perturbation is a gas at low density, we measure the complex refraction index of this gas for lithium atomic waves. If the perturbation is a nano-grating, we measure the complex amplitude of the diffraction zeroth order and this amplitude is very sensitive to the van der Waals interaction of the lithium atom with the nano-grating surface. An important part of this manuscript concerns further developments of our activity. We discuss several improvements of the measurement of the electric polarizability of lithium atom and we hope to access to a precision comparable to the one of the best ab initio calculations of this quantity. We plan to detect a new topological phase, predicted by theory in 1993 but never observed. Finally, we are starting the construction of a second generation atom interferometer, with a slow and intense lithium beam. This new source will give a larger signal and a longer interaction time, thus enabling the detection of considerably weaker perturbations: a fascinating possibility

  14. A general-model-space diagrammatic perturbation theory

    International Nuclear Information System (INIS)

    Hose, G.; Kaldor, U.

    1980-01-01

    A diagrammatic many-body perturbation theory applicable to arbitrary model spaces is presented. The necessity of having a complete model space (all possible occupancies of the partially-filled shells) is avoided. This requirement may be troublesome for systems with several well-spaced open shells, such as most atomic and molecular excited states, as a complete model space spans a very broad energy range and leaves out states within that range, leading to poor or no convergence of the perturbation series. The method presented here would be particularly useful for such states. The solution of a model problem (He 2 excited Σ + sub(g) states) is demonstrated. (Auth.)

  15. The relationship between vacuum and atomic collisions in solids

    International Nuclear Information System (INIS)

    Carter, G.; Armour, D.G.

    1980-01-01

    Atomic collision events in solids are frequently stimulated by external irradiation with energetic heavy ions. This requires production, acceleration and manipulation of ion beams in vacuum system with ensuing problems arising in perturbations to ion beam quality from gas phase collisions. In addition the dynamic interaction between the gas phase and any surfaces at which atomic collisions are under investigation can lead to perturbation to the collision events by adsorbed contaminant. This review discusses both gas phase requirements for ion accelerators to minimize deleterious effects and outlines some of the processes which occur in atomic collisions due to the presence of adsorbed impurities. Finally it is shown how certain atomic collision processes involving elastic scattering may be employed to investigate surface adsorption and related effects. (author)

  16. Effectiveness of Modal Decomposition for Tapping Atomic Force Microscopy Microcantilevers in Liquid Environment.

    Science.gov (United States)

    Kim, Il Kwang; Lee, Soo Il

    2016-05-01

    The modal decomposition of tapping mode atomic force microscopy microcantilevers in liquid environments was studied experimentally. Microcantilevers with different lengths and stiffnesses and two sample surfaces with different elastic moduli were used in the experiment. The response modes of the microcantilevers were extracted as proper orthogonal modes through proper orthogonal decomposition. Smooth orthogonal decomposition was used to estimate the resonance frequency directly. The effects of the tapping setpoint and the elastic modulus of the sample under test were examined in terms of their multi-mode responses with proper orthogonal modes, proper orthogonal values, smooth orthogonal modes and smooth orthogonal values. Regardless of the stiffness of the microcantilever under test, the first mode was dominant in tapping mode atomic force microscopy under normal operating conditions. However, at lower tapping setpoints, the flexible microcantilever showed modal distortion and noise near the tip when tapping on a hard sample. The stiff microcantilever had a higher mode effect on a soft sample at lower tapping setpoints. Modal decomposition for tapping mode atomic force microscopy can thus be used to estimate the characteristics of samples in liquid environments.

  17. Orbital motion in strongly perturbed environments applications to asteroid, comet and planetary satellite orbiters

    CERN Document Server

    Scheeres, Daniel J

    2012-01-01

    The proposed book will provide a detailed, technical introduction to the analysis of orbital motion in strongly perturbed environments, focusing on motion about small Solar System bodies, such as comets and asteroids. The author shows why such small bodies are of interest and why they can be used as a motivation for the general analysis of orbital mechanics. He shows how it is possible to model the small body environment, including specialised cases such as those of binary asteroids, comets and ‘rubble piles’, and how the fundamental equations of motion are derived. The properties of the various solutions to the equations of motion are described and the methods of analysis and their application are discussed. Both ballistic motion and powered motion on and about small bodies are considered and case studies for different small body missions are presented. The author concludes his comprehensive treatment with a discussion of the mechanics of multi-body small body systems and a review of advanced topics and ...

  18. Excitation energies from Görling-Levy perturbation theory along the range-separated adiabatic connection

    Science.gov (United States)

    Rebolini, Elisa; Teale, Andrew M.; Helgaker, Trygve; Savin, Andreas; Toulouse, Julien

    2018-06-01

    A Görling-Levy (GL)-based perturbation theory along the range-separated adiabatic connection is assessed for the calculation of electronic excitation energies. In comparison with the Rayleigh-Schrödinger (RS)-based perturbation theory this GL-based perturbation theory keeps the ground-state density constant at each order and thus gives the correct ionisation energy at each order. Excitation energies up to first order in the perturbation have been calculated numerically for the helium and beryllium atoms and the hydrogen molecule without introducing any density-functional approximations. In comparison with the RS-based perturbation theory, the present GL-based perturbation theory gives much more accurate excitation energies for Rydberg states but similar excitation energies for valence states.

  19. Efficient atomization of cesium metal in solid helium by low energy (10 $\\mu$J) femtosecond pulses

    OpenAIRE

    Melich, Mathieu; Dupont-Roc, Jacques; Jacquier, Philippe

    2009-01-01

    International audience; Metal atoms in solid and liquid helium-4 have attracted some interest either as a way to keep the atoms in a weakly perturbing matrix, or using them as a probe for the helium host medium. Laser sputtering with nanosecond pulsed lasers is the most often used method for atom production, resulting however in a substantial perturbation of the matrix. We show that a much weaker perturbation can be obtained by using femtosecond laser pulses with energy as low as 10 µJ. As an...

  20. The hydrogen atom in D = 3 - 2ɛ dimensions

    Science.gov (United States)

    Adkins, Gregory S.

    2018-06-01

    The nonrelativistic hydrogen atom in D = 3 - 2 ɛ dimensions is the reference system for perturbative schemes used in dimensionally regularized nonrelativistic effective field theories to describe hydrogen-like atoms. Solutions to the D-dimensional Schrödinger-Coulomb equation are given in the form of a double power series. Energies and normalization integrals are obtained numerically and also perturbatively in terms of ɛ. The utility of the series expansion is demonstrated by the calculation of the divergent expectation value .

  1. Base case and perturbation scenarios

    Energy Technology Data Exchange (ETDEWEB)

    Edmunds, T

    1998-10-01

    This report describes fourteen energy factors that could affect electricity markets in the future (demand, process, source mix, etc.). These fourteen factors are believed to have the most influence on the State's energy environment. A base case, or most probable, characterization is given for each of these fourteen factors over a twenty year time horizon. The base case characterization is derived from quantitative and qualitative information provided by State of California government agencies, where possible. Federal government databases are nsed where needed to supplement the California data. It is envisioned that a initial selection of issue areas will be based upon an evaluation of them under base case conditions. For most of the fourteen factors, the report identities possible perturbations from base case values or assumptions that may be used to construct additional scenarios. Only those perturbations that are plausible and would have a significant effect on energy markets are included in the table. The fourteen factors and potential perturbations of the factors are listed in Table 1.1. These perturbations can be combined to generate internally consist.ent. combinations of perturbations relative to the base case. For example, a low natural gas price perturbation should be combined with a high natural gas demand perturbation. The factor perturbations are based upon alternative quantitative forecasts provided by other institutions (the Department of Energy - Energy Information Administration in some cases), changes in assumptions that drive the quantitative forecasts, or changes in assumptions about the structure of the California energy markets. The perturbations are intended to be used for a qualitative reexamination of issue areas after an initial evaluation under the base case. The perturbation information would be used as a "tiebreaker;" to make decisions regarding those issue areas that were marginally accepted or rejected under the base case. Hf a

  2. Many body calculations in atomic physics

    International Nuclear Information System (INIS)

    Kelly, H.P.

    1985-01-01

    The use of the many-body perturbation theory for atomic calculations are reviewed. The major emphasis is on the use of the linked-cluster many-body perturbation theory derived by Brueckner and Goldstone. Applications of many-body theory to calculations of hyperfine structure are examined. Auger rates and parity violation are discussed. Photoionization is reviewed, and the authors show how many-body perturbation theory can be applied to problems ranging from structural properties such as correlation energies and hyperfine structure to dynamical properties such as transitions induced by weak neutral currents and photoionization cross sections

  3. Frequency modulation detection atomic force microscopy in the liquid environment

    Science.gov (United States)

    Jarvis, S. P.; Ishida, T.; Uchihashi, T.; Nakayama, Y.; Tokumoto, H.

    True atomic resolution imaging using frequency modulation detection is already well established in ultra-high vacuum. In this paper we demonstrate that it also has great potential in the liquid environment. Using a combination of magnetic activation and high-aspect-ratio carbon nanotube probes, we show that imaging can be readily combined with point spectroscopy, revealing both the tip-sample interaction and the structure of the intermediate liquid.

  4. Projector Augmented-Wave formulation of response to strain and electric field perturbation within the density-functional perturbation theory

    Science.gov (United States)

    Martin, Alexandre; Torrent, Marc; Caracas, Razvan

    2015-03-01

    A formulation of the response of a system to strain and electric field perturbations in the pseudopotential-based density functional perturbation theory (DFPT) has been proposed by D.R Hamman and co-workers. It uses an elegant formalism based on the expression of DFT total energy in reduced coordinates, the key quantity being the metric tensor and its first and second derivatives. We propose to extend this formulation to the Projector Augmented-Wave approach (PAW). In this context, we express the full elastic tensor including the clamped-atom tensor, the atomic-relaxation contributions (internal stresses) and the response to electric field change (piezoelectric tensor and effective charges). With this we are able to compute the elastic tensor for all materials (metals and insulators) within a fully analytical formulation. The comparison with finite differences calculations on simple systems shows an excellent agreement. This formalism has been implemented in the plane-wave based DFT ABINIT code. We apply it to the computation of elastic properties and seismic-wave velocities of iron with impurity elements. By analogy with the materials contained in meteorites, tested impurities are light elements (H, O, C, S, Si).

  5. Adaptation response surfaces for managing wheat under perturbed climate and CO2 in a Mediterranean environment

    DEFF Research Database (Denmark)

    Ruiz-Ramos, M.; Ferrise, Roberto; Rodríguez, A

    2018-01-01

    type were analysed by constructing response surfaces, which we termed, in accordance with their specific purpose, adaptation response surfaces (ARSs). These were created to assess the effect of adaptations through a range of plausible P, T and [CO2] perturbations. The results indicated that impacts....... However, a single sI was sufficient to develop a high adaptation potential, including options mainly based on spring wheat, current cycle duration and early sowing date. Depending on local environment (e.g. soil type), many of these adaptations can maintain current yield levels under moderate changes in T...

  6. Time reversal violating nuclear polarizability and atomic electric dipole moment

    International Nuclear Information System (INIS)

    Ginges, J.S.M.; Flambaum, V.V.; Mititelu, G.

    2000-01-01

    Full text: We propose a nuclear mechanism which can induce an atomic electric dipole moment (EDM). The interaction of external electric E and magnetic H fields with nuclear electric and magnetic dipole moments, d and ,u, gives rise to an energy shift, U= -β ik E i H k , where β ik is the nuclear polarizability. Parity and time invariance violating (P,T-odd) nuclear forces generate a mixed P,T-odd nuclear polarizability, whereψ 0 and ψ n are P,T-odd perturbed ground and excited nuclear states, respectively. In the case of a heavy spherical nucleus with a single unpaired nucleon, the perturbed wavefunctions are U = -β ik E i H k , where ξis a constant proportional to the strength of the nuclear P,T-odd interaction, σ is the nuclear spin operator, and ψ n is an unperturbed wavefunction. There are both scalar and tensor contributions to the nuclear P,T-odd polarizability. An atomic EDM is induced by the interaction of the fields of an unpaired electron in an atom with the P,T-odd perturbed atomic nucleus. An estimate for the value of this EDM has been made. The measurements of atomic EDMs can provide information about P,T-odd nuclear forces and test models of CP-violation

  7. Investigation of collisional excitation-transfer processes in a plasma by laser perturbation method

    International Nuclear Information System (INIS)

    Sakurai, Takeki

    1983-01-01

    The theoretical background and the experimental method of the laser perturbation method applied to the study of collisional excitation transfer process in plasma are explained. The atomic density at some specified level can be evaluated theoretically. By using the theoretical results and the experimentally obtained data, the total attenuation probability, the collisional transfer probability and natural emission probability were estimated. For the experiments, continuous wave laser (cw) and pulse laser are employed. It is possible by using pulse dye laser to observe the attenuation curve directly, and to bring in resonance to any atomic spectra. At the beginning, the experimental studies were made on He-Ne discharge. The pulse dye laser has been used for the excitation of alkali atoms. The first application of pulse laser to the study of plasma physics was the study on He. The cross section of disalignment has also been studied by the laser perturbation. The alignment of atoms, step and cascade transfer, the confinement of radiation and optogalvanic effect are discussed in this paper. (Kato, T.)

  8. The coherence lifetime-borrowing effect in vibronically coupled molecular aggregates under non-perturbative system-environment interactions.

    Science.gov (United States)

    Yeh, Shu-Hao; Engel, Gregory S.; Kais, Sabre

    Recently it has been suggested that the long-lived coherences in some photosynthetic pigment-protein systems, such as the Fenna-Matthews-Olson complex, could be attributed to the mixing of the pigments' electronic and vibrational degrees of freedom. In order to verify whether this is the case and to understand its underlying mechanism, a theoretical model capable of including both the electronic excitations and intramolecular vibrational modes of the pigments is necessary. Our model simultaneously considers the electronic and vibrational degrees of freedom, treating the system-environment interactions non-perturbatively by implementing the hierarchical equations of motion approach. Here we report the simulated two-dimensional electronic spectra of vibronically coupled molecular dimers to demonstrate how the electronic coherence lifetimes can be extended by borrowing the lifetime from the vibrational coherences. Funded by Qatar National Research Fund and Qatar Environment and Energy Research Institute.

  9. Online time-differential perturbed angular correlation study with an 19O beam - Residence sites of oxygen atoms in highly oriented pyrolytic graphite

    International Nuclear Information System (INIS)

    Sato, W.; Ueno, H.; Watanabe, H.; Miyoshi, H.; Yoshimi, A.; Kameda, D.; Ito, T.; Shimada, K.; Kaihara, J.; Suda, S.; Kobayashi, Y.; Shinohara, A.; Ohkubo, Y.; Asahi, K.

    2008-01-01

    The online time-differential perturbed angular correlation (TDPAC) method was applied to a study of the physical states of a probe 19 F, the β - decay product of 19 O (t 1/2 = 26.9 s), implanted in highly oriented pyrolytic graphite. The observed magnitude of the electric field gradient at the probe nucleus, |V zz | = 2.91(17) x 10 22 V m -2 , suggests that the incident 19 O atoms are stabilized at an interlayer position with point group C 3v . Exhibiting observed TDPAC spectra having a clear sample-to-detector configuration dependence, we demonstrate the applicability of the present online method with a short-lived radioactive 19 O beam

  10. Online time-differential perturbed angular correlation study with an 19O beam - Residence sites of oxygen atoms in highly oriented pyrolytic graphite

    Science.gov (United States)

    Sato, W.; Ueno, H.; Watanabe, H.; Miyoshi, H.; Yoshimi, A.; Kameda, D.; Ito, T.; Shimada, K.; Kaihara, J.; Suda, S.; Kobayashi, Y.; Shinohara, A.; Ohkubo, Y.; Asahi, K.

    2008-01-01

    The online time-differential perturbed angular correlation (TDPAC) method was applied to a study of the physical states of a probe 19F, the β- decay product of 19O (t1/2 = 26.9 s), implanted in highly oriented pyrolytic graphite. The observed magnitude of the electric field gradient at the probe nucleus, ∣Vzz∣ = 2.91(17) × 1022 V m-2, suggests that the incident 19O atoms are stabilized at an interlayer position with point group C3v. Exhibiting observed TDPAC spectra having a clear sample-to-detector configuration dependence, we demonstrate the applicability of the present online method with a short-lived radioactive 19O beam.

  11. VEDA: a web-based virtual environment for dynamic atomic force microscopy.

    Science.gov (United States)

    Melcher, John; Hu, Shuiqing; Raman, Arvind

    2008-06-01

    We describe here the theory and applications of virtual environment dynamic atomic force microscopy (VEDA), a suite of state-of-the-art simulation tools deployed on nanoHUB (www.nanohub.org) for the accurate simulation of tip motion in dynamic atomic force microscopy (dAFM) over organic and inorganic samples. VEDA takes advantage of nanoHUB's cyberinfrastructure to run high-fidelity dAFM tip dynamics computations on local clusters and the teragrid. Consequently, these tools are freely accessible and the dAFM simulations are run using standard web-based browsers without requiring additional software. A wide range of issues in dAFM ranging from optimal probe choice, probe stability, and tip-sample interaction forces, power dissipation, to material property extraction and scanning dynamics over hetereogeneous samples can be addressed.

  12. Generation of long-living entanglement between two distant three-level atoms in non-Markovian environments.

    Science.gov (United States)

    Li, Chuang; Yang, Sen; Song, Jie; Xia, Yan; Ding, Weiqiang

    2017-05-15

    In this paper, a scheme for the generation of long-living entanglement between two distant Λ-type three-level atoms separately trapped in two dissipative cavities is proposed. In this scheme, two dissipative cavities are coupled to their own non-Markovian environments and two three-level atoms are driven by the classical fields. The entangled state between the two atoms is produced by performing Bell state measurement (BSM) on photons leaving the dissipative cavities. Using the time-dependent Schördinger equation, we obtain the analytical results for the evolution of the entanglement. It is revealed that, by manipulating the detunings of classical field, the long-living stationary entanglement between two atoms can be generated in the presence of dissipation.

  13. Effect of Hydrotherapy on Static and Dynamic Balance in Older Adults: Comparison of Perturbed and Non-Perturbed Programs

    Directory of Open Access Journals (Sweden)

    Elham Azimzadeh

    2013-01-01

    Full Text Available Objectives: Falling is a main cause of mortality in elderly. Balance training exercises can help to prevent falls in older adults. According to the principle of specificity of training, the perturbation-based trainings are more similar to the real world. So these training programs can improve balance in elderly. Furthermore, exercising in an aquatic environment can reduce the limitations for balance training rather than a non-aquatic on. The aim of this study is comparing the effectiveness of perturbed and non-perturbed balance training programs in water on static and dynamic balance in aforementioned population group. Methods & Materials: 37 old women (age 80-65, were randomized to the following groups: perturbation-based training (n=12, non-perturbation-based training (n=12 and control (n=13 groups. Static and dynamic balance had been tested before and after the eight weeks of training by the postural stability test of the Biodex balance system using dynamic (level 4 and static platform. The data were analyzed by one sample paired t-test, Independent t-test and ANOVA. Results: There was a significant improvement for all indexes of static and dynamic balance in perturbation-based training (P<0.05. However, in non-perturbed group, all indexes were improved except ML (P<0.05. ANOVA showed that perturbed training was more effective than non-perturbed training on both static and dynamic balances. Conclusion: The findings confirmed the specificity principle of training. Although balance training can improve balance abilities, these kinds of trainings are not such specific for improving balance neuromuscular activities.The perturbation-based trainings can activate postural compensatory responses and reduce falling risk. According to results, we can conclude that hydrotherapy especially with perturbation-based programs will be useful for rehabilitation interventions in elderly .

  14. Laser-induced charge exchange in ion-atom collisions

    International Nuclear Information System (INIS)

    Riera, A.

    1986-01-01

    The theory of laser-induced charge transfer (LICT) in ion-atom collisions is presented for the range of impact energies in which a quasimolecular description is appropriate. For each relative orientation of the AC field, LICT cross sections can be obtained with trivial modifications of standard programs. Simpler, perturbative expressions for the orientation-averaged cross sections are accurate for I v -1 6 W s cm -3 , and the analytical Landau-Zener perturbative expression often provides good estimates for these cross sections. The practical advantages of the dressed state formalism as an alternative approach are critically examined, and the general characteristics of LICT cross sections in multicharged ion-atom collisions are shown with the help of an example. (Auth.)

  15. Theoretical evaluation of matrix effects on trapped atomic levels

    Energy Technology Data Exchange (ETDEWEB)

    Das, G.P.; Gruen, D.M.

    1986-06-01

    We suggest a theoretical model for calculating the matrix perturbation on the spectra of atoms trapped in rare gas systems. The model requires the ''potential curves'' of the diatomic system consisting of the trapped atom interacting with one from the matrix and relies on the approximation that the total matrix perturbation is a scalar sum of the pairwise interactions with each of the lattice sites. Calculations are presented for the prototype systems Na in Ar. Attempts are made to obtain ab initio estimates of the Jahn-Teller effects for excited states. Comparison is made with our recent Matrix-Isolation Spectroscopic (MIS) data. 10 refs., 3 tabs.

  16. Theoretical evaluation of matrix effects on trapped atomic levels

    International Nuclear Information System (INIS)

    Das, G.P.; Gruen, D.M.

    1986-06-01

    We suggest a theoretical model for calculating the matrix perturbation on the spectra of atoms trapped in rare gas systems. The model requires the ''potential curves'' of the diatomic system consisting of the trapped atom interacting with one from the matrix and relies on the approximation that the total matrix perturbation is a scalar sum of the pairwise interactions with each of the lattice sites. Calculations are presented for the prototype systems Na in Ar. Attempts are made to obtain ab initio estimates of the Jahn-Teller effects for excited states. Comparison is made with our recent Matrix-Isolation Spectroscopic (MIS) data. 10 refs., 3 tabs

  17. Interaction of Rydberg atoms with two contrapropagating ultrashort laser pulses

    International Nuclear Information System (INIS)

    Lugovskoy, A. V.; Bray, I.

    2006-01-01

    In this paper we investigate how Rydberg atoms respond to perturbation by two contrapropagating ultrashort laser pulses. We consider the case where the durations of both pulses τ 1 and τ 2 are shorter than the inverse of the initial-state energy ε i -1 . When acting alone such a pulse passes through the atom without noticeable alteration in the atomic state. The situation is different if two such pulses interfere in the region of atom localization. In this case the atomic response is significantly enhanced. This is due to the nonzero momentum transferred to the electron by the interplay of the electric field of one pulse and the magnetic field of the other. The sudden perturbation approximation is used to evaluate the transition probabilities. They are shown to depend on the atom position with respect to the pulse interference region. This dependence is determined by the relationship between the atomic diameter d i and the interference-region size l=c(τ 1 +τ 2 ) (c is the speed of light). If d i i >>l the transition probabilities are sensitive to the electron density distribution along the propagation direction. The probabilities of the initial-state destruction and atom ionization drop as l/d i irrespective of the characteristics of the pulses

  18. Radiation perturbation theory in gravity and quantum universe as a hydrogen atom

    International Nuclear Information System (INIS)

    Pervushin, V.N.

    1992-01-01

    In quantum theory of gravity of the (n+1)-dimensional space-time the Faddeev-Popov functional integral is constructed for radiation perturbation theory. In this version the Universe expansion looks as the collective superfluid motion of quantum space, and the vacuum energy density plays the role of the hidden mass. 6 refs

  19. Stability investigation of a high number density Pt1/Fe2O3 single-atom catalyst under different gas environments by HAADF-STEM

    Science.gov (United States)

    Duan, Sibin; Wang, Rongming; Liu, Jingyue

    2018-05-01

    Catalysis by supported single metal atoms has demonstrated tremendous potential for practical applications due to their unique catalytic properties. Unless they are strongly anchored to the support surfaces, supported single atoms, however, are thermodynamically unstable, which poses a major obstacle for broad applications of single-atom catalysts (SACs). In order to develop strategies to improve the stability of SACs, we need to understand the intrinsic nature of the sintering processes of supported single metal atoms, especially under various gas environments that are relevant to important catalytic reactions. We report on the synthesis of high number density Pt1/Fe2O3 SACs using a facial strong adsorption method and the study of the mobility of these supported Pt single atoms at 250 °C under various gas environments that are relevant to CO oxidation, water–gas shift, and hydrogenation reactions. Under the oxidative gas environment, Fe2O3 supported Pt single atoms are stable even at high temperatures. The presence of either CO or H2 molecules in the gas environment, however, facilitates the movement of the Pt atoms. The strong interaction between CO and Pt weakens the binding between the Pt atoms and the support, facilitating the movement of the Pt single atoms. The dissociation of H2 molecules on the Pt atoms and their subsequent interaction with the oxygen species of the support surfaces dislodge the surface oxygen anchored Pt atoms, resulting in the formation of Pt clusters. The addition of H2O molecules to the CO or H2 significantly accelerates the sintering of the Fe2O3 supported Pt single atoms. An anchoring-site determined sintering mechanism is further proposed, which is related to the metal–support interaction.

  20. Casimir interaction between gas media of excited atoms

    International Nuclear Information System (INIS)

    Sherkunov, Yury

    2007-01-01

    The retarded dispersion interaction (Casimir interaction) between two dilute dielectric media at high temperatures is considered. The excited atoms are taken into account. It is shown that the perturbation technique cannot be applied to this problem due to divergence of integrals. A non-perturbative approach based on kinetic Green functions is implemented. We consider the interaction between two atoms (one of them is excited) embedded in an absorbing dielectric medium. We take into account the possible absorption of photons in the medium, which solves the problem of divergence. The force between two plane dilute dielectric media is calculated at pair interaction approximation. We show that the result of quantum electrodynamics differs from the Lifshitz formula for dilute gas media at high temperatures (if the number of excited atoms is significant). According to quantum electrodynamics, the interaction may be either attractive or repulsive depending on the temperature and the density numbers of the media

  1. Theory of multiphoton ionization of atoms

    International Nuclear Information System (INIS)

    Szoeke, A.

    1986-03-01

    A non-perturbative approach to the theory of multiphoton ionization is reviewed. Adiabatic Floquet theory is its first approximation. It explains qualitatively the energy and angular distribution of photoelectrons. In many-electron atoms it predicts collective and inner shell excitation. 14 refs

  2. Screened Coulomb interactions in metallic alloys. II. Screening beyond the single-site and atomic-sphere approximations

    DEFF Research Database (Denmark)

    Ruban, Andrei; Simak, S.I.; Korzhavyi, P.A.

    2002-01-01

    -electron potential and energy. In the case of a random alloy such interactions can be accounted for only by lifting the atomic-sphere and single-site approximations, in order to include the polarization due to local environment effects. Nevertheless, a simple parametrization of the screened Coulomb interactions...... for the ordinary single-site methods, including the generalized perturbation method, is still possible. We obtained such a parametrization for bulk and surface NiPt alloys, which allows one to obtain quantitatively accurate effective interactions in this system....

  3. Finite perturbation studies of magnetic susceptibility and shielding with GIAO

    International Nuclear Information System (INIS)

    Zaucer, M.; Pumpernik, D.; Hladnik, M.; Azman, A.

    1977-01-01

    The magnetic susceptibility tensor and proton and fluorine magnetic shielding tensors are calculated for F 2 and (FHF) - using an ab initio finite perturbation method with gauge-invariant atomic orbitals (GIAO). The discussion of the basis set deficiency shows that the calculated values for the susceptibilities are reliable. Simple additivity (Pascal rule) for the susceptibility is confirmed. (orig.) [de

  4. Theoretical studies of atomic transitions. Progress report, March 15, 1985-March 14, 1986

    International Nuclear Information System (INIS)

    Fischer, C.F.

    1986-01-01

    A brief description of the research program for atomic studies is given. The program includes an effort to combine the Multi-Configuration Hartree-Fock (MCHF) method with Many-Body Perturbation Theory and the development of a database system for atomic data generated by the atomic structure package. 6 refs

  5. Classical approach in atomic physics

    International Nuclear Information System (INIS)

    Solov'ev, E.A.

    2011-01-01

    The application of a classical approach to various quantum problems - the secular perturbation approach to quantization of a hydrogen atom in external fields and a helium atom, the adiabatic switching method for calculation of a semiclassical spectrum of a hydrogen atom in crossed electric and magnetic fields, a spontaneous decay of excited states of a hydrogen atom, Gutzwiller's approach to Stark problem, long-lived excited states of a helium atom discovered with the help of Poincare section, inelastic transitions in slow and fast electron-atom and ion-atom collisions - is reviewed. Further, a classical representation in quantum theory is discussed. In this representation the quantum states are treated as an ensemble of classical states. This approach opens the way to an accurate description of the initial and final states in classical trajectory Monte Carlo (CTMC) method and a purely classical explanation of tunneling phenomenon. The general aspects of the structure of the semiclassical series such as renormalization group symmetry, criterion of accuracy and so on are reviewed as well. (author)

  6. Modified perturbation theory for strongly correlated electron systems

    International Nuclear Information System (INIS)

    Takagi, Osamu; Saso, Tetsuro

    1999-01-01

    We propose a modified scheme for calculating the single-particle excitation spectrum of the impurity Anderson model. It is based on the second order perturbation theory, but modifies the self-energy so as to reproduce the correct atomic limit and to fulfill the Friedel sum rule. Therefore, it offers a simple scheme valid over wide range of excitation energy and parameters, and would be useful also for potential application to the lattice problems. (author)

  7. Nuclear and atomic physics at one gigaflop

    International Nuclear Information System (INIS)

    Bottcher, C.; Strayer, J.B.

    1989-01-01

    A three-day workshop on problems in atomic and nuclear physics which depend on and are, at present, severely limited by access to supercomputing at effective rates of one gigaflop or more, was held at Oak Ridge, Tennessee, April 14-16, 1988. The participants comprised researchers from universities, industries and laboratories in the United States and Europe. In this volume are presented talks from that meeting on atomic and nuclear physics topics and on modern parallel processing concepts and hardware. The physics topics included strong fields in atomic and nuclear physics, the role of quarks in nuclear physics, the nuclear few-body problem, relativistic descriptions of heavy-ion collisions, nuclear hydrodynamics, Monte Carlo techniques for many-body problems, precision calculation of atomic QED effects, classical simulation of atomic processes, atomic structure, atomic many-body perturbation theory, quantal studies of small and large molecular systems, and multi-photon atomic and molecular problems

  8. Non-perturbative approach for laser radiation interactions with solids

    International Nuclear Information System (INIS)

    Jalbert, G.

    1985-01-01

    Multiphoton transitions in direct-gap crystals are studied considering non-perturbative approaches. Two methods currently used for atoms and molecules are revised, generalized and applied to solids. In the first one, we construct an S-matrix which incorporates the eletromagnetic field to all orders in an approximated way leading to analytical solution for the multiphoton transition rates. In the second one, the transition probability is calculated within the Bloch-Floquet formalism applieed to the specific case of solids. This formalism is interpreted as a classical approximation to the quantum treatment of the field. In the weak field limit, we compare our results with the usual perturbation calculations. We also incorporate, in the first approach, the non homogeneity and the multimodes effects of a real laser. (author) [pt

  9. Interaction of strong electromagnetic fields with atoms

    International Nuclear Information System (INIS)

    Brandi, H.S.; Davidovich, L.; Zagury, N.

    1982-06-01

    Several non-linear processes involvoing the interaction of atoms with strong laser fields are discussed, with particular emphasis on the ionization problem. Non-perturbative methods which have been proposed to tackle this problem are analysed, and shown to correspond to an expansion in the intra-atomic potential. The relation between tunneling and multiphoton absorption as ionization mechanisms, and the generalization of Einstein's photoelectric equation to the strong-field case are discussed. (Author) [pt

  10. Suppression of Runaway Electrons by Resonant Magnetic Perturbations in TEXTOR Disruptions

    International Nuclear Information System (INIS)

    Lehnen, M.; Bozhenkov, S. A.; Abdullaev, S. S.; TEXTOR Team,; Jakubowski, M. W.

    2008-01-01

    The generation of runaway electrons in the international fusion experiment ITER disruptions can lead to severe damage at plasma facing components. Massive gas injection might inhibit the generation process, but the amount of gas needed can affect, e.g., vacuum systems. Alternatively, magnetic perturbations can suppress runaway generation by increasing the loss rate. In TEXTOR disruptions runaway losses were enhanced by the application of resonant magnetic perturbations with toroidal mode number n=1 and n=2. The disruptions are initiated by fast injection of about 3x10 21 argon atoms, which leads to a reliable generation of runaway electrons. At sufficiently high perturbation levels a reduction of the runaway current, a shortening of the current plateau, and the suppression of high energetic runaways are observed. These findings indicate the suppression of the runaway avalanche during disruptions

  11. The Atom, the Environment and Sustainable Development

    International Nuclear Information System (INIS)

    2014-09-01

    The IAEA has a broad mandate to facilitate nuclear applications in a number of areas and scientific disciplines. A fundamental component of the Agency's mandate is to enhance the peaceful contribution of nuclear science and technology to the specific development needs of its Member States in areas such as industry, human health, agriculture and nutrition. Nuclear techniques play an important role in addressing these development challenges. By facilitating their use, the IAEA is contributing to sustainable development. Well known examples include helping to advance treatment methods for fighting diseases, improving access to electricity, and increasing food security. A major underlying challenge in development for many Member States is environmental degradation. Environmental issues affect local, national, regional and global communities and threaten to undermine human well-being. Addressing these issues in a timely and efficient manner is essential. As with the other areas mentioned above, nuclear science and technology can make a particularly valuable contribution to assisting with efforts to better understand and protect the natural environment. Through The Atom, the Environment and Sustainable Development, the IAEA aims to raise and widen awareness of the unique contributions nuclear science and technology can make to the environmental dimension of sustainable development. Through this publication and other reports, it is expected that the readers acquire a better and more precise understanding of the significant role of science and technology, including nuclear-related technology, in the global development agenda. This publication also highlights the IAEA's role in supporting developing countries to realize their sustainable development aspirations through technology transfer and capacity-building

  12. Noncontact atomic force microscopy in liquid environment with quartz tuning fork and carbon nanotube probe

    DEFF Research Database (Denmark)

    Kageshima, M.; Jensenius, Henriette; Dienwiebel, M.

    2002-01-01

    A force sensor for noncontact atomic force microscopy in liquid environment was developed by combining a multiwalled carbon nanotube (MWNT) probe with a quartz tuning fork. Solvation shells of octamethylcyclotetrasiloxane surface were detected both in the frequency shift and dissipation. Due to t...

  13. Influence of the plasma environment on atomic structure using an ion-sphere model

    Science.gov (United States)

    Belkhiri, Madeny; Fontes, Christopher J.; Poirier, Michel

    2015-09-01

    Plasma environment effects on atomic structure are analyzed using various atomic structure codes. To monitor the effect of high free-electron density or low temperatures, Fermi-Dirac and Maxwell-Boltzmann statistics are compared. After a discussion of the implementation of the Fermi-Dirac approach within the ion-sphere model, several applications are considered. In order to check the consistency of the modifications brought here to extant codes, calculations have been performed using the Los Alamos Cowan Atomic Structure (cats) code in its Hartree-Fock or Hartree-Fock-Slater form and the parametric potential Flexible Atomic Code (fac). The ground-state energy shifts due to the plasma effects for the six most ionized aluminum ions have been calculated using the fac and cats codes and fairly agree. For the intercombination resonance line in Fe22 +, the plasma effect within the uniform electron gas model results in a positive shift that agrees with the multiconfiguration Dirac-Fock value of B. Saha and S. Fritzsche [J. Phys. B 40, 259 (2007), 10.1088/0953-4075/40/2/002]. Last, the present model is compared to experimental data in titanium measured on the terawatt Astra facility and provides values for electron temperature and density in agreement with the maria code.

  14. Perturbed Angular Correlation Study of the Static and Dynamic Aspects of Cadmium and Mercury Atoms Inside and Attached to a C60 Fullerene Cage

    CERN Document Server

    Das, Satyendra K; Banerjee, Debasish; Johnston, Karl; Das, Parnika; Butz, Tilman; Amaral, Vitor S; Correia, Joao G; Barbosa, Marcelo B

    2014-01-01

    30 keV Cd-111m and 50 keV Hg-199m beams from ISOLDE were used to implant on preformed targets of C-60 with a thickness of 1 mg cm(-2). Endofullerene compounds, viz. Cd-111m@C-60 and Hg-199m@C-60 formed during implantation were separated by filtration through micropore filter paper followed by solvent extraction. Dried samples of the endofullerene compounds were counted for the time differential perturbed angular correlation (TDPAC) measurement using the coincidence of the 151-245 keV cascade of Cd-111m and the 374 158 keV cascade of Hg-199m on a six LaBr3(Ce) detector system coupled with digital electronics. The results for 111mCd@C60 indicate a single static component (27\\%) and a fast relaxing component (73\\%), the latter implying that the cadmium atom moves rapidly inside the cage at room temperature. The quadrupole interaction frequency and asymmetry parameter of the cadmium atom occupying the static site in C60 are omega(Q) = 8.21(36) Mrad s(-1) and eta = 0.41(9), respectively. The fast relaxation con...

  15. Local atomic structure of α-Pu

    International Nuclear Information System (INIS)

    Espinosa, F. J.; Villella, P.; Lashley, J. C.; Conradson, S. D.; Cox, L. E.; Martinez, R.; Martinez, B.; Morales, L.; Terry, J.; Pereyra, R. A.

    2001-01-01

    The local atomic structure of α-Pu was investigated using x-ray absorption fine structure (XAFS) spectroscopy. XAFS spectra were obtained for a zone-refined α-Pu and the results were compared to 32-year-old and Ce-doped (0.34 at.%) samples. X-ray diffraction (XRD) patterns were also measured for the zone-refined and 32-year-old materials. The extent of the Bragg peaks showed that amorphization of the 32-year-old sample had not occurred despite the prolonged exposure to self-radiation. Analogous to metastable δ-Pu alloys, the local atomic structure around Pu for the zone-refined material shows the possible presence of noncrystallographic Pu-Pu distances. Conversely, the Ce and the 32-year-old sample show no evidence for such noncrystallographic distances. Disorder in the Pu local environment was found to be impurity dependent. The Ce-doped sample presented a larger Pu-Pu nearest neighbor disorder than the aged sample, although the total amount of Am, U, and He impurities was actually higher in the aged sample. The local environment around U and Ce impurities is consistent with these elements being in substitutional lattice sites. In addition, U and Ce do not introduce significant lattice distortion to their nearest neighbors. This is consistent with disorder being more related to the perturbation of the coupling between the electronic and crystal structure, or the Peierls--Jahn-Teller distortion that generates the monoclinic α-Pu structure, and less to strain fields produced in the vicinity of the impurities

  16. "Phonon" scattering beyond perturbation theory

    Science.gov (United States)

    Qiu, WuJie; Ke, XueZhi; Xi, LiLi; Wu, LiHua; Yang, Jiong; Zhang, WenQing

    2016-02-01

    Searching and designing materials with intrinsically low lattice thermal conductivity (LTC) have attracted extensive consideration in thermoelectrics and thermal management community. The concept of part-crystalline part-liquid state, or even part-crystalline part-amorphous state, has recently been proposed to describe the exotic structure of materials with chemical- bond hierarchy, in which a set of atoms is weakly bonded to the rest species while the other sublattices retain relatively strong rigidity. The whole system inherently manifests the coexistence of rigid crystalline sublattices and fluctuating noncrystalline substructures. Representative materials in the unusual state can be classified into two categories, i.e., caged and non-caged ones. LTCs in both systems deviate from the traditional T -1 relationship ( T, the absolute temperature), which can hardly be described by small-parameter-based perturbation approaches. Beyond the classical perturbation theory, an extra rattling-like scattering should be considered to interpret the liquid-like and sublattice-amorphization-induced heat transport. Such a kind of compounds could be promising high-performance thermoelectric materials, due to the extremely low LTCs. Other physical properties for these part-crystalline substances should also exhibit certain novelty and deserve further exploration.

  17. Robust Trajectory Design in Highly Perturbed Environments Leveraging Continuation Methods, Phase I

    Data.gov (United States)

    National Aeronautics and Space Administration — Research is proposed to investigate continuation methods to improve the robustness of trajectory design algorithms for spacecraft in highly perturbed dynamical...

  18. Two centre problems in relativistic atomic physics

    Energy Technology Data Exchange (ETDEWEB)

    McConnell, Sean R.

    2013-01-09

    The work contained within this thesis is concerned with the explanation and usage of a set of theoretical procedures for the study of static and dynamic two-centre problems in the relativistic framework of Dirac's equation. Two distinctly different theories for handling time-dependent atomic interactions are reviewed, namely semi-classical perturbation theory and a non-perturbative numerical technique based on the coupled channel equation to directly solve the time-dependent, two-centre Dirac equation. The non-perturbative numerical technique has been developed independently and the calculations performed with it are entirely new. Calculations for ionisation cross sections and state occupancies are conducted for both these methods. The non-perturbative technique for relativistic two-centre problems is extensively explained and, given its novelty, a probity test is conducted between this technique and that of the well established perturbation theory in calculating K-and L-shell ionisation cross sections for the alpha decay of initially Hydrogen-like Polonium. To that end, an in depth outline of the perturbative technique is also made for both collision and decay processes. As well as the comparison test mentioned, this technique is also applied to the analysis of cross sections of the promotion of a single electron into the positive continuum from either a K- or L-shell due to the alpha decay of heavy, neutral nuclei (Gadolinium, Polonium and Thorium). Dirac-Coulomb eigenfunctions centred on the parent nucleus of the decay pair are taken as the basis for use in the cross section calculations utilising first order, semi-classical pertubation theory. The excellent congruence between both techniques justifies the usage of the non-perturbative algorithms in the subsequent analysis of collisions between very heavy, highly charged ions. As such, a set of calculations are performed examining the bound and continuum state occupancy of the electronic levels during a

  19. Atomic and magnetic configurational energetics by the generalized perturbation method

    DEFF Research Database (Denmark)

    Ruban, Andrei V.; Shallcross, Sam; Simak, S.I.

    2004-01-01

    in the framework of the Korringa-Kohn-Rostoker method within the atomic sphere and coherent potential approximations. This is demonstrated with calculations of ordering energies, short-range order parameters, and transition temperatures in the CuZn, CuAu, CuPd, and PtCo systems. Furthermore, we show that the GPM...

  20. Reconstructing the ideal results of a perturbed analog quantum simulator

    Science.gov (United States)

    Schwenk, Iris; Reiner, Jan-Michael; Zanker, Sebastian; Tian, Lin; Leppäkangas, Juha; Marthaler, Michael

    2018-04-01

    Well-controlled quantum systems can potentially be used as quantum simulators. However, a quantum simulator is inevitably perturbed by coupling to additional degrees of freedom. This constitutes a major roadblock to useful quantum simulations. So far there are only limited means to understand the effect of perturbation on the results of quantum simulation. Here we present a method which, in certain circumstances, allows for the reconstruction of the ideal result from measurements on a perturbed quantum simulator. We consider extracting the value of the correlator 〈Ôi(t ) Ôj(0 ) 〉 from the simulated system, where Ôi are the operators which couple the system to its environment. The ideal correlator can be straightforwardly reconstructed by using statistical knowledge of the environment, if any n -time correlator of operators Ôi of the ideal system can be written as products of two-time correlators. We give an approach to verify the validity of this assumption experimentally by additional measurements on the perturbed quantum simulator. The proposed method can allow for reliable quantum simulations with systems subjected to environmental noise without adding an overhead to the quantum system.

  1. Experimental evidence for πK-atoms

    International Nuclear Information System (INIS)

    Amsler, C.

    2009-01-01

    We present evidence for the first observation of electromagnetically bound pion-kaon pairs (πK- atoms) with the DIRAC-II experiment at the CERN-PS. The mean life of πK-atoms is related to the s-wave πK-scattering lengths, a measurement of which is relevant to low energy QCD, in particular chiral perturbation theories including the s-quarks. The atoms are produced by a 24 GeV/c proton beam in a thin Pt-target and the dissociated pions and kaons analyzed in a two-arm magnetic spectrometer. The observed enhancement at low relative momentum corresponds to the production of 173± 54 πK-atoms. From these first data we derive a lower limit for the mean life of 0.8 fs at the 90 % confidence level. (author)

  2. Invited Article: VEDA: A web-based virtual environment for dynamic atomic force microscopy

    Science.gov (United States)

    Melcher, John; Hu, Shuiqing; Raman, Arvind

    2008-06-01

    We describe here the theory and applications of virtual environment dynamic atomic force microscopy (VEDA), a suite of state-of-the-art simulation tools deployed on nanoHUB (www.nanohub.org) for the accurate simulation of tip motion in dynamic atomic force microscopy (dAFM) over organic and inorganic samples. VEDA takes advantage of nanoHUB's cyberinfrastructure to run high-fidelity dAFM tip dynamics computations on local clusters and the teragrid. Consequently, these tools are freely accessible and the dAFM simulations are run using standard web-based browsers without requiring additional software. A wide range of issues in dAFM ranging from optimal probe choice, probe stability, and tip-sample interaction forces, power dissipation, to material property extraction and scanning dynamics over hetereogeneous samples can be addressed.

  3. Finite-field evaluation of the Lennard-Jones atom-wall interaction constant C3 for alkali-metal atoms

    International Nuclear Information System (INIS)

    Johnson, W.R.; Dzuba, V.A.; Safronova, U.I.; Safronova, M.S.

    2004-01-01

    A finite-field scaling method is applied to evaluate the Lennard-Jones interaction constant C 3 for alkali-metal atoms. The calculations are based on the relativistic single-double approximation in which single and double excitations of Dirac-Hartree-Fock wave functions are included to all orders in perturbation theory

  4. Supersingular quantum perturbations

    International Nuclear Information System (INIS)

    Detwiler, L.C.; Klauder, J.R.

    1975-01-01

    A perturbation potential is called supersingular whenever generally every matrix element of the perturbation in the unperturbed eigenstates is infinite. It follows that supersingular perturbations do not have conventional perturbation expansions, say for energy eigenvalues. By invoking variational arguments, we determine the asymptotic behavior of the energy eigenvalues for asymptotically small values of the coupling constant of the supersingular perturbation

  5. Materials selection for long life in LEO: a critical evaluation of atomic oxygen testing with thermal atom systems

    International Nuclear Information System (INIS)

    Koontz, S.L.; Kuminecz, J.; Leger, L.; Nordine, P.

    1988-01-01

    The use of thermal atom test methods as a materials selection and screening technique for low-Earth orbit (LEO) spacecraft is critically evaluated. The chemistry and physics of thermal atom environments are compared with the LEO environment. The relative reactivities of a number of materials determined to be in thermal atom environments are compared to those observed in LEO and in high quality LEO simulations. Reaction efficiencies measured in a new type of thermal atom apparatus are one-hundredth to one-thousandth those observed in LEO, and many materials showing nearly identical reactivities in LEO show relative reactivities differing by as much as a factor of 8 in thermal atom systems. A simple phenomenological kinetic model for the reaction of oxygen atoms with organic materials can be used to explain the differences in reactivity in different environments. Certain specific thermal test environments can be used as reliable materials screening tools. Using thermal atom methods to predict material lifetime in LEO requires direct calibration of the method against LEO data or high quality simulation data for each material

  6. Higher order Stark effect and transition probabilities on hyperfine structure components of hydrogen like atoms

    Energy Technology Data Exchange (ETDEWEB)

    Pal' chikov, V.G. [National Research Institute for Physical-Technical and Radiotechnical Measurements - VNIIFTRI (Russian Federation)], E-mail: vitpal@mail.ru

    2000-08-15

    A quantum-electrodynamical (QED) perturbation theory is developed for hydrogen and hydrogen-like atomic systems with interaction between bound electrons and radiative field being treated as the perturbation. The dependence of the perturbed energy of levels on hyperfine structure (hfs) effects and on the higher-order Stark effect is investigated. Numerical results have been obtained for the transition probability between the hfs components of hydrogen-like bismuth.

  7. Theoretical calculations of electron-impact and radiative processes in atoms

    International Nuclear Information System (INIS)

    Pindzola, M.S.

    1975-01-01

    Electron-impact and radiative processes in atoms are investigated with particular attention paid to the effects of electron correlations. Using the optical potential method, the cross section for the elastic scattering of electrons by the neutral argon atom is calculated from 0 to 300 eV. Corrections to the Hartree--Fock cross section are obtained from a many-particle perturbation expansion. The effects of electron correlations are found to be quite significant at low energy. The optical potential results are compared with a polarized orbital calculation, the Born approximation and experiment. The 2s and 2p excitation cross sections for electron scattering on hydrogen are calculated by two similar methods. The distorted wave method is applied and the effect of calculating the outgoing scattered electron in the potential of the initial or final state is investigated. The imaginary part of the optical potential is also calculated in lowest order by the use of many-body diagrams. The subshell photoionization cross sections in argon are calculated using the acceleration, length and velocity forms of the dipole operator. First order electron correlation corrections to the Hartree--Fock approximation are obtained through the use of many-body perturbation theory. Also investigated is the two photon ionization cross section for the neutral argon atom. A double perturbation expansion in the Coulomb correlations and the atom-radiation field interaction is made. Contributions from intermediate states are obtained by direct summation over Hartree--Fock bound and continuum single particle states. The effects of electron correlations and photon radiative corrections are investigated

  8. Pressure shifts and electron scattering in atomic and molecular gases

    International Nuclear Information System (INIS)

    Rupnik, K.; McGlynn, S.P.; Asaf, U.

    1994-01-01

    In this work, the authors focus on one aspect of Rydberg electron scattering, namely number density effects in molecular gases. The recent study of Rydberg states of CH 3 I and C 6 H 6 perturbed by H 2 is the first attempt to investigate number density effects of a molecular perturber on Rydberg electrons. Highly excited Rydberg states, because of their ''large orbital'' nature, are very sensitive to the surrounding medium. Photoabsorption or photoionization spectra of CH 3 I have also been measured as a function of perturber pressure in 11 different binary gas mixtures consisting of CH 3 I and each one of eleven different gaseous perturbers. Five of the perturbers were rare gases (He, Ne, Ar, Kr, Xe) and six were non-dipolar molecules (H 2 , CH 4 , N 2 , C 2 H 6 , C 3 H 8 ). The goal of this work is to underline similarities and differences between atomic and molecular perturbers. The authors first list some results of the molecular study

  9. [Electron transfer, ionization and excitation in atomic collisions

    International Nuclear Information System (INIS)

    1991-01-01

    The research being carried out at Penn State by Winter and Alston addresses the fundamental atomic-collision processes of electron transfer, ionization, and excitation. Winter has focussed attention on intermediate and, more recently, higher collision energies -- proton energies of at least about 50 keV -- for which coupled-state approaches are appropriate. Alston has concentrated on perturbative approaches to symmetric ion-ion/atom collisions at high energies and to asymmetric collisions at intermediate to high energies

  10. Zeeman effect: new outlook on old perturbation theory

    International Nuclear Information System (INIS)

    Turbiner, A.V.

    1980-01-01

    The problem of hydrogen atom placed in constant external magnetic field is studied. The properties of ordinary perturbation theory (in powers of the field) in the framework of a new approach proposed earlier are investigated. The ground state are considered in detailed while the excited states are discussed only in brief. It is shown that the ''wave function corrections'' with in this approach are simpler than within ordinary one and contain a finite number of harmonics with polynomial coefficients. Some coefficients of these polynomials are found explicitly

  11. Chemical environment of iron atoms in iron oxynitride films synthesized by reactive magnetron sputtering

    International Nuclear Information System (INIS)

    Grafoute, M.; Petitjean, C.; Rousselot, C.; Pierson, J.F.; Greneche, J.M.

    2007-01-01

    An iron oxynitride film was deposited on silicon and glass substrates by magnetron sputtering in an Ar-N 2 -O 2 reactive mixture. Rutherford back-scattering spectrometry was used to determine the film composition (Fe 1.06 O 0.35 N 0.65 ). X-ray diffraction revealed the formation of a face-centred cubic (fcc) structure with a lattice parameter close to that of γ'''-FeN. X-ray photoelectron spectroscopy showed the occurrence of Fe-N and Fe-O bonds in the film. The local environment of iron atoms studied by 57 Fe Moessbauer spectrometry at both 300 and 77 K gives clear evidence that the Fe 1.06 O 0.35 N 0.65 is not a mixture of iron oxide and iron nitride phases. Despite a small amount of an iron nitride phase, the main sample consists of an iron oxynitride phase with an NaCl-type structure where oxygen atoms partially substitute for nitrogen atoms, thus indicating the formation of a iron oxynitride with an fcc structure

  12. Non-perturbative versus perturbative renormalization of lattice operators

    International Nuclear Information System (INIS)

    Goeckeler, M.; Technische Hochschule Aachen; Horsley, R.; Ilgenfritz, E.M.; Oelrich, H.; Forschungszentrum Juelich GmbH; Schierholz, G.; Forschungszentrum Juelich GmbH; Perlt, H.; Schiller, A.; Rakow, P.

    1995-09-01

    Our objective is to compute the moments of the deep-inelastic structure functions of the nucleon on the lattice. A major source of uncertainty is the renormalization of the lattice operators that enter the calculation. In this talk we compare the renormalization constants of the most relevant twist-two bilinear quark operators which we have computed non-perturbatively and perturbatively to one loop order. Furthermore, we discuss the use of tadpole improved perturbation theory. (orig.)

  13. Saturated two-photon absorption by atoms in a perturber gas

    International Nuclear Information System (INIS)

    Nienhuis, G.

    1980-01-01

    We derive a general expression for the two-photon absorption spectrum of a three-state atom excited by two mono-chromatic radiation fields. Collisional line-broadening effects are incorporated, and the result allows inclusion of profiles with a validity outside the impact limit. Results of previous work are recovered in the appropriate limits. Saturation affects the different lines in the two-photon absorption spectrum in a different fashion. (orig.)

  14. Application of the Faddeev-Watson expansion to thermal collisions of Rydberg atoms with neutral particles

    International Nuclear Information System (INIS)

    de Prunele, E.

    1983-01-01

    The Faddeev-Watson expansion (FWE) for the T operator is applied to the study of thermal collisions between Rydberg atom and neutral atom. These collisions are considered as a three-body problem (the perturber, the Rydberg electron, and its parent core) and it is assumed, as already done in most theoretical works dealing with Rydberg-atom--atom collisions, that the core-perturber interaction can be neglected. Then the evaluation of the FWE first- and second-order terms is made tractable by using an appropriate separable potential for the Rydberg-electron--perturber interaction. The evaluation of the second-order term allows us to estimate the importance of taking into account explicitly the Rydberg-electron--core interaction in the expression of the (three-body) T operator for the thermal collisions considered. Detailed calculations for the process Rb(n, l = 0)+He →Rb(n',l')+He are presented and discussed. The FWE second-order term has been evaluated for the first time by taking the (two-body) t operator associated with the Rydberg atom (valence electron plus parent core) as the Coulomb potential. The contribution of the FWE second-order term to the scattering amplitude decreases as n increases and is found especially significant when both the momentum transfers involved in the collision are large and the values of l and l' are small

  15. Perturbation approach to the self-energy of non-S hydrogenic states

    International Nuclear Information System (INIS)

    Le Bigot, Eric-Olivier; Jentschura, Ulrich D.; Mohr, Peter J.; Indelicato, Paul; Soff, Gerhard

    2003-01-01

    We present results on the self-energy correction to the energy levels of hydrogen and hydrogenlike ions. The self-energy represents the largest QED correction to the relativistic (Dirac-Coulomb) energy of a bound electron. We focus on the perturbation expansion of the self-energy of non-S states, and provide estimates of the so-called A 60 perturbation coefficient, which can be viewed as a relativistic Bethe logarithm. Precise values of A 60 are given for many P, D, F, and G states, while estimates are given for other states. These results can be used in high-precision spectroscopy experiments in hydrogen and hydrogenlike ions. They yield the best available estimate of the self-energy correction of many atomic states

  16. Theory of collisional excitation transition between Rydberg states of atoms. Non-inertial mechanism

    International Nuclear Information System (INIS)

    Kaulakys, B.P.

    1982-01-01

    The transitions between highly states of an atom due to the collision of its core with another atom are considered. The cross sections of the change of highly excited electron angular momentum, in the case of the transitions when the main quantum number is constant, are expressed in terms of transport cross sections of the perturbing atom scattering on the ion of Rydberg atom. It is shown that the cross sections of the momentum mixing at thermal rapidities are lower than the cross sections of the atom-ion elastic scattering

  17. Perturbation theory with respect to intercenter electron exchange and superexchange with degeneracy

    International Nuclear Information System (INIS)

    Orlenko, E.V.; Rumyantsev, A.A.

    1990-01-01

    The corrections to the energy and wave functions of a multielectron system of interacting atoms are calculated in a general analytic form by taking into account degeneracy of the states in accordance with the Young schemes. The rule for writing down the perturbation operator in such systems is formulated in the case when the ground and excited state vectors are antisymmetrized with respect to interchange of electrons between the centers. A secular equation of the theory is derived by applying perturbation theory, one of the parameters of which is the degree of overlap of the wave functions. Some concrete examples of interatomic interactions of an unpaired nature which are due to exchange and superexchange effects are considered

  18. New hybrid non-linear transformations of divergent perturbation series for quadratic Zeeman effects

    International Nuclear Information System (INIS)

    Belkic, D.

    1989-01-01

    The problem of hydrogen atoms in an external uniform magnetic field (quadratic Zeeman effect) is studied by means of perturbation theory. The power series for the ground-state energy in terms of magnetic-field strength B is divergent. Nevertheless, it is possible to induce convergence of this divergent series by applying various non-linear transformations. These transformations of originally divergent perturbation series yield new sequences, which then converge. The induced convergence is, however, quite slow. A new hybrid Shanks-Levin non-linear transform is devised here for accelerating these slowly converging series and sequences. Significant improvement in the convergence rate is obtained. Agreement with the exact results is excellent. (author)

  19. Analytical theory for the nuclear level shift of hadronic atoms

    International Nuclear Information System (INIS)

    Kudryavtsev, A.E.; Lisin, V.I.; Popov, V.S.

    1982-01-01

    The spectrum problem in the Coulomb potential distorted at small distances is considered. Nuclear shifts of 3-levels in p anti p and Σ - p atoms are calculated. The probabilities of radiative transitions from p-states to the shifted s-states in hadronic atom are also given. It is shown that the reconstruction of atomic levels switches to oscillation regime when absorption increases. The limits of applicability of the perturbation theory in terms of the scattering length for different values of absorption is discussed. An exactly solvable model, Coulomb plus Yamaguchi potential, is considered

  20. Bounds and estimates for the linearly perturbed eigenvalue problem

    International Nuclear Information System (INIS)

    Raddatz, W.D.

    1983-01-01

    This thesis considers the problem of bounding and estimating the discrete portion of the spectrum of a linearly perturbed self-adjoint operator, M(x). It is supposed that one knows an incomplete set of data consisting in the first few coefficients of the Taylor series expansions of one or more of the eigenvalues of M(x) about x = 0. The foundations of the variational study of eigen-values are first presented. These are then used to construct the best possible upper bounds and estimates using various sets of given information. Lower bounds are obtained by estimating the error in the upper bounds. The extension of these bounds and estimates to the eigenvalues of the doubly-perturbed operator M(x,y) is discussed. The results presented have numerous practical application in the physical sciences, including problems in atomic physics and the theory of vibrations of acoustical and mechanical systems

  1. Joint General Atomic-TAERF fusion program

    Energy Technology Data Exchange (ETDEWEB)

    Kerst, D W [John Jay Hopkins Laboratory for Pure and Applied Science, General Atomic Division of General Dynamics Corporation, San Diego, CA (United States)

    1958-07-01

    The experimental work has consisted of several parts: the study of charge exchange in hydrogen ionic and atomic collisions, the study of some linear pinch discharge systems with high stabilizing axial magnetic fields, developments on a small scale for a large toroidal geometry, and experiments with various diagnostic methods, including electrical, optical, and shock-tube methods. The experiments on atomic collisions have consisted of measurements of cross sections for the ionization, the excitation of Lyman-alpha radiation, and elastic scattering for the case of electron bombardment. In addition, charge-exchange cross sections between deuterons and deuterium atoms have been measured. The calculations of Dalgarno and Yadav, using a perturbed stationary-state approximation are close to the experimental results which show a very large cross section for charge exchange.

  2. On the atomic-state dressing effect by an intense electromagnetic radiation

    Energy Technology Data Exchange (ETDEWEB)

    Gonzalez-Diaz, P.F.; Garcia-Fernandez, P.

    1985-11-01

    Perturbation of the atomic energy levels by an intense electromagnetic field is theoretically investigated. A dressing interaction Hamiltonian is constructed in the second-quantization formalism and the correct transitional Hamiltonian formulated. (orig.).

  3. The relationship between the life environment of the atomic bomb survivors (Hibakusha) and their cardiovascular disorders

    International Nuclear Information System (INIS)

    Tasaka, Masatoshi; Saito, Osamu; Miyaki, Sumiyo; Watabu, Akiko

    1978-01-01

    In order to observe clinically the effects of the atomic bomb on the human body (and on the environment), subjects were divided into group A (persons living in Hiroshima city more than 10 years after dropping of the atomic bomb) and group B (persons who changed their residence within 1 month). Group A was divided into two separate groups: group A 1 (persons living in segregated areas), and group A 2 (persons living in other areas). General examinations showed no abnormal findings. Incidence of abnormal ECG findings was higher in subjects living in segregated areas and was also higher in women than in men. (Namekawa, K.)

  4. Frequency modulation atomic force microscopy in ambient environments utilizing robust feedback tuning

    Science.gov (United States)

    Kilpatrick, J. I.; Gannepalli, A.; Cleveland, J. P.; Jarvis, S. P.

    2009-02-01

    Frequency modulation atomic force microscopy (FM-AFM) is rapidly evolving as the technique of choice in the pursuit of high resolution imaging of biological samples in ambient environments. The enhanced stability afforded by this dynamic AFM mode combined with quantitative analysis enables the study of complex biological systems, at the nanoscale, in their native physiological environment. The operational bandwidth and accuracy of constant amplitude FM-AFM in low Q environments is heavily dependent on the cantilever dynamics and the performance of the demodulation and feedback loops employed to oscillate the cantilever at its resonant frequency with a constant amplitude. Often researchers use ad hoc feedback gains or instrument default values that can result in an inability to quantify experimental data. Poor choice of gains or exceeding the operational bandwidth can result in imaging artifacts and damage to the tip and/or sample. To alleviate this situation we present here a methodology to determine feedback gains for the amplitude and frequency loops that are specific to the cantilever and its environment, which can serve as a reasonable "first guess," thus making quantitative FM-AFM in low Q environments more accessible to the nonexpert. This technique is successfully demonstrated for the low Q systems of air (Q ˜40) and water (Q ˜1). In addition, we present FM-AFM images of MC3T3-E1 preosteoblast cells acquired using the gains calculated by this methodology demonstrating the effectiveness of this technique.

  5. Approaching the basis set limit for DFT calculations using an environment-adapted minimal basis with perturbation theory: Formulation, proof of concept, and a pilot implementation

    International Nuclear Information System (INIS)

    Mao, Yuezhi; Horn, Paul R.; Mardirossian, Narbe; Head-Gordon, Teresa; Skylaris, Chris-Kriton; Head-Gordon, Martin

    2016-01-01

    Recently developed density functionals have good accuracy for both thermochemistry (TC) and non-covalent interactions (NC) if very large atomic orbital basis sets are used. To approach the basis set limit with potentially lower computational cost, a new self-consistent field (SCF) scheme is presented that employs minimal adaptive basis (MAB) functions. The MAB functions are optimized on each atomic site by minimizing a surrogate function. High accuracy is obtained by applying a perturbative correction (PC) to the MAB calculation, similar to dual basis approaches. Compared to exact SCF results, using this MAB-SCF (PC) approach with the same large target basis set produces <0.15 kcal/mol root-mean-square deviations for most of the tested TC datasets, and <0.1 kcal/mol for most of the NC datasets. The performance of density functionals near the basis set limit can be even better reproduced. With further improvement to its implementation, MAB-SCF (PC) is a promising lower-cost substitute for conventional large-basis calculations as a method to approach the basis set limit of modern density functionals.

  6. Perturbation theory of intermolecular interactions: What is the problem, are there solutions?

    International Nuclear Information System (INIS)

    Adams, W.H.

    1990-01-01

    We review the nature of the problem in the framework of Rayleigh-Schroedinger perturbation theory (the polarization approximation) considering explicitly two examples: the interaction of two hydrogen atoms and the interaction of Li with H. We show, in agreement with the work of Claverie and of Morgan and Simon, that the LiH problem is dramatically different from the H 2 problem. In particular, the physical states of LiH are higher in energy than an infinite number of discrete, unphysical states and they are buried in a continuum of unbound, unphysical states, which starts well below the lowest physical state. Clavrie has shown that the perturbation expansion, under these circumstances, is likely to converge to an unphysical state of lower energy than the physical ground state, if it converges at all. We review, also, the application of two classes of exchange perturbation theory to LiH and larger systems. We show that the spectra of three Eisenschitz-London (EL) class, exchange perturbation theories have no continuum of unphysical states overlaying the physical states and no discrete, unphysical states below the lowest physical state. In contrast, the spectra of two Hirschfelder-Silbey class theories differ hardly at all from that found with the polarization approximation. Not one of the EL class of perturbation theories, however, eliminates all of the discrete unphysical states

  7. Atom ionization in a nonclassical intense electromagnetic field

    International Nuclear Information System (INIS)

    Popov, A.M.; Tikhonova, O.V.

    2002-01-01

    The atoms ionization process in the intense nonclassical electromagnetic field is considered. It is shown that depending on the field quantum state the probability of ionization may essentially change even by one and the same average quantum number in the radiation mode, whereby the difference in the ionization rates is especially significant in the case, when the ionization process is of a multiphoton character. It is demonstrates in particular, that the nonclassical field may be considerably more intensive from the viewpoint of the atoms ionization, than the classical field with the same intensity. The peculiarities of the decay, related to the atomic system state in the strong nonclassical field beyond the perturbation theory frames are studied [ru

  8. Analytical model for relativistic corrections to the nuclear magnetic shielding constant in atoms

    International Nuclear Information System (INIS)

    Romero, Rodolfo H.; Gomez, Sergio S.

    2006-01-01

    We present a simple analytical model for calculating and rationalizing the main relativistic corrections to the nuclear magnetic shielding constant in atoms. It provides good estimates for those corrections and their trends, in reasonable agreement with accurate four-component calculations and perturbation methods. The origin of the effects in deep core atomic orbitals is manifestly shown

  9. Analytical model for relativistic corrections to the nuclear magnetic shielding constant in atoms

    Energy Technology Data Exchange (ETDEWEB)

    Romero, Rodolfo H. [Facultad de Ciencias Exactas, Universidad Nacional del Nordeste, Avenida Libertad 5500 (3400), Corrientes (Argentina)]. E-mail: rhromero@exa.unne.edu.ar; Gomez, Sergio S. [Facultad de Ciencias Exactas, Universidad Nacional del Nordeste, Avenida Libertad 5500 (3400), Corrientes (Argentina)

    2006-04-24

    We present a simple analytical model for calculating and rationalizing the main relativistic corrections to the nuclear magnetic shielding constant in atoms. It provides good estimates for those corrections and their trends, in reasonable agreement with accurate four-component calculations and perturbation methods. The origin of the effects in deep core atomic orbitals is manifestly shown.

  10. Perturbation vectors to evaluate air quality using lichens and bromeliads: a Brazilian case study.

    Science.gov (United States)

    Monna, F; Marques, A N; Guillon, R; Losno, R; Couette, S; Navarro, N; Dongarra, G; Tamburo, E; Varrica, D; Chateau, C; Nepomuceno, F O

    2017-10-17

    Samples of one lichen species, Parmotrema crinitum, and one bromeliad species, Tillandsia usneoides, were collected in the state of Rio de Janeiro, Brazil, at four sites differently affected by anthropogenic pollution. The concentrations of aluminum, cadmium, copper, iron, lanthanum, lead, sulfur, titanium, zinc, and zirconium were determined by inductively coupled plasma-atomic emission spectroscopy. The environmental diagnosis was established by examining compositional changes via perturbation vectors, an underused family of methods designed to circumvent the problem of closure in any compositional dataset. The perturbation vectors between the reference site and the other three sites were similar for both species, although body concentration levels were different. At each site, perturbation vectors between lichens and bromeliads were approximately the same, whatever the local pollution level. It should thus be possible to combine these organisms, though physiologically different, for air quality surveys, after making all results comparable with appropriate correction. The use of perturbation vectors seems particularly suitable for assessing pollution level by biomonitoring, and for many frequently met situations in environmental geochemistry, where elemental ratios are more relevant than absolute concentrations.

  11. Franck-Condon factors perturbed by damped harmonic oscillators: Solvent enhanced X 1Ag ↔ A1B1u absorption and fluorescence spectra of perylene

    International Nuclear Information System (INIS)

    Wang, Chen-Wen; Zhu, Chaoyuan; Lin, Sheng-Hsien; Yang, Ling; Yu, Jian-Guo

    2014-01-01

    Damped harmonic oscillators are utilized to calculate Franck-Condon factors within displaced harmonic oscillator approximation. This is practically done by scaling unperturbed Hessian matrix that represents local modes of force constants for molecule in gaseous phase, and then by diagonalizing perturbed Hessian matrix it results in direct modification of Huang–Rhys factors which represent normal modes of solute molecule perturbed by solvent environment. Scaling parameters are empirically introduced for simulating absorption and fluorescence spectra of an isolated solute molecule in solution. The present method is especially useful for simulating vibronic spectra of polycyclic aromatic hydrocarbon molecules in which hydrogen atom vibrations in solution can be scaled equally, namely the same scaling factor being applied to all hydrogen atoms in polycyclic aromatic hydrocarbons. The present method is demonstrated in simulating solvent enhanced X 1 A g ↔ A 1 B 1u absorption and fluorescence spectra of perylene (medium-sized polycyclic aromatic hydrocarbon) in benzene solution. It is found that one of six active normal modes v 10 is actually responsible to the solvent enhancement of spectra observed in experiment. Simulations from all functionals (TD) B3LYP, (TD) B3LYP35, (TD) B3LYP50, and (TD) B3LYP100 draw the same conclusion. Hence, the present method is able to adequately reproduce experimental absorption and fluorescence spectra in both gas and solution phases

  12. A model for the interaction between F centers and H atoms in ionic crystals

    International Nuclear Information System (INIS)

    Dumke, V.R.; Souza, M. de

    1975-01-01

    The interaction between an F center and neutral hydrogen atoms, the most simple paramagnetic defects in ionic crystals, is described in terms of a perturbation theory of two square potential wells. The good agreement with experimental data indicates that lattice distortion due to the presence of the hydrogen atoms is negligible [pt

  13. Perturbed angular correlation study of the static and dynamic aspects of cadmium and mercury atoms inside and attached to a C{sub 60} fullerene cage

    Energy Technology Data Exchange (ETDEWEB)

    Das, Satyendra K.; Guin, Rashmohan; Banerjee, Debasish [Variable Energy Cyclotron Centre, Kolkata (India). Accelerator Chemistry Section (Bhabha Atomic Research Centre); Johnston, Karl [CERN, Geneva (Switzerland); Das, Parnika [Variable Energy Cyclotron Centre, Kolkata (India); Butz, Tilman [Leipzig Univ. (Germany). Faculty of Physics and Earth Sciences; Amaral, Vitor S. [Aveiro Univ. (Portugal). Physics Dept.; Aveiro Univ. (Portugal). CICECO; Correia, Joao G.; Barbosa, Marcelo B. [Instituto Tecnologico e Nuclear (ITN), Sacavem (Portugal); CERN, Geneva (Switzerland). ISOLDE

    2014-10-15

    30 keV {sup 111m}Cd and 50 keV {sup 199m}Hg beams from ISOLDE were used to implant on preformed targets of C{sub 60} with a thickness of 1 mg cm{sup -2}. Endofullerene compounds, viz. {sup 111m}Cd rate at C{sub 60} and {sup 199m}Hg rate at C{sub 60} formed during implantation were separated by filtration through micropore filter paper followed by solvent extraction. Dried samples of the endofullerene compounds were counted for the time differential perturbed angular correlation (TDPAC) measurement using the coincidence of the 151-245keV cascade of {sup 111m}Cd and the 374-158 keV cascade of {sup 199m}Hg on a six LaBr{sub 3}(Ce) detector system coupled with digital electronics. The results for {sup 111m}Cd rate at C{sub 60} indicate a single static component (27 %) and a fast relaxing component (73 %), the latter implying that the cadmium atom moves rapidly inside the cage at room temperature. The quadrupole interaction frequency and asymmetry parameter of the cadmium atom occupying the static site in C{sub 60} are ω{sub Q} = 8.21(36) Mrad s{sup -1} and η = 0.41(9), respectively. The fast relaxation constant is 0.0031(4) ns{sup -1}. Similarly, mercury atoms also exhibit a single static and a fast component. The static site has a quadrupole frequency ω{sub Q} = 283.0(12.4) Mrad s{sup -1} and η = 0 with a fraction of 30 %. The fast relaxation constant is 0.045(8) ns{sup -1} with a fraction of 70 %, very similar to that of cadmium.

  14. Theory and applications of atomic and ionic polarizabilities

    International Nuclear Information System (INIS)

    Mitroy, J; Safronova, M S; Clark, Charles W

    2010-01-01

    Atomic polarization phenomena impinge upon a number of areas and processes in physics. The dielectric constant and refractive index of any gas are examples of macroscopic properties that are largely determined by the dipole polarizability. When it comes to microscopic phenomena, the existence of alkaline-earth anions and the recently discovered ability of positrons to bind to many atoms are predominantly due to the polarization interaction. An imperfect knowledge of atomic polarizabilities is presently looming as the largest source of uncertainty in the new generation of optical frequency standards. Accurate polarizabilities for the group I and II atoms and ions of the periodic table have recently become available by a variety of techniques. These include refined many-body perturbation theory and coupled-cluster calculations sometimes combined with precise experimental data for selected transitions, microwave spectroscopy of Rydberg atoms and ions, refractive index measurements in microwave cavities, ab initio calculations of atomic structures using explicitly correlated wavefunctions, interferometry with atom beams and velocity changes of laser cooled atoms induced by an electric field. This review examines existing theoretical methods of determining atomic and ionic polarizabilities, and discusses their relevance to various applications with particular emphasis on cold-atom physics and the metrology of atomic frequency standards. (topical review)

  15. Theory and applications of atomic and ionic polarizabilities

    Energy Technology Data Exchange (ETDEWEB)

    Mitroy, J [School of Engineering, Charles Darwin University, Darwin NT 0909 (Australia); Safronova, M S [Department of Physics and Astronomy, University of Delaware, Newark, DE 19716 (United States); Clark, Charles W, E-mail: jxm107@rsphysse.anu.edu.a, E-mail: msafrono@udel.ed, E-mail: charles.clark@nist.go [Joint Quantum Institute, National Institute of Standards and Technology and the University of Maryland, Gaithersburg, MD 20899-8410 (United States)

    2010-10-28

    Atomic polarization phenomena impinge upon a number of areas and processes in physics. The dielectric constant and refractive index of any gas are examples of macroscopic properties that are largely determined by the dipole polarizability. When it comes to microscopic phenomena, the existence of alkaline-earth anions and the recently discovered ability of positrons to bind to many atoms are predominantly due to the polarization interaction. An imperfect knowledge of atomic polarizabilities is presently looming as the largest source of uncertainty in the new generation of optical frequency standards. Accurate polarizabilities for the group I and II atoms and ions of the periodic table have recently become available by a variety of techniques. These include refined many-body perturbation theory and coupled-cluster calculations sometimes combined with precise experimental data for selected transitions, microwave spectroscopy of Rydberg atoms and ions, refractive index measurements in microwave cavities, ab initio calculations of atomic structures using explicitly correlated wavefunctions, interferometry with atom beams and velocity changes of laser cooled atoms induced by an electric field. This review examines existing theoretical methods of determining atomic and ionic polarizabilities, and discusses their relevance to various applications with particular emphasis on cold-atom physics and the metrology of atomic frequency standards. (topical review)

  16. The K-shell ionisation of atoms by relativistic protons

    International Nuclear Information System (INIS)

    Davidovic, D.M.; Moiseiwitsch, B.L.; Norrington, P.H.

    1978-01-01

    The K-shell ionisation of atoms by protons travelling with relativistic velocities is investigated using an extension of the first-order time-dependent perturbation-theory treatment of Moeller (Ann. Phys. Lpz.; 14:531 (1932)), taking Dirac plane waves for the description of the incident and scattered protons and the Darwin approximation for the relativistic wavefunctions of the K-shell atomic electrons and the ejected electron. The differential cross sections and total cross sections are calculated. Results are compared with those of earlier workers. (author)

  17. Periodicity and chaos in strongly perturbed classical orbitals for Coulomb interactions

    Energy Technology Data Exchange (ETDEWEB)

    Klar, H

    1986-01-01

    Within the framework of classical mechanics two prototypes of strongly perturbed orbitals, the diamagnetism in hydrogen and electronic double excitation, are analyzed near critical phase space points (fixed points). The motion of the hydrogen electron under the joint influence of the Coulomb field and the magnetic field is periodic for any field strengths. For a two-electron atom however the author finds a chaotic time evolution of the electron pair correlation, causing presumably irregular spectral patterns. (Auth.).

  18. The fundamentals of atomic and molecular physics

    CERN Document Server

    Brooks, Robert L

    2013-01-01

    The Fundamentals of Atomic and Molecular Physics is intended as an introduction to the field for advanced undergraduates who have taken quantum mechanics. Each chapter builds upon the previous, using the same tools and methods throughout. As the students progress through the book, their ability to use these tools will steadily increase, along with their confidence in their efficacy. The book treats the two-electron atom as the simplest example of the many-electron atom—as opposed to using techniques that are not applicable to many-electron atoms—so that it is unnecessary to develop additional equations when turning to multielectron atoms, such as carbon. External fields are treated using both perturbation theory and direct diagonalization and spontaneous emission is developed from first principles. Only diatomic molecules are considered with the hydrogen molecular ion and neutral molecule treated in some detail. This comprehensive coverage of the quantum mechanics of complex atoms and simple diatomic mole...

  19. Generalizing genetical genomics: getting added value from environmental perturbation.

    Science.gov (United States)

    Li, Yang; Breitling, Rainer; Jansen, Ritsert C

    2008-10-01

    Genetical genomics is a useful approach for studying the effect of genetic perturbations on biological systems at the molecular level. However, molecular networks depend on the environmental conditions and, thus, a comprehensive understanding of biological systems requires studying them across multiple environments. We propose a generalization of genetical genomics, which combines genetic and sensibly chosen environmental perturbations, to study the plasticity of molecular networks. This strategy forms a crucial step toward understanding why individuals respond differently to drugs, toxins, pathogens, nutrients and other environmental influences. Here we outline a strategy for selecting and allocating individuals to particular treatments, and we discuss the promises and pitfalls of the generalized genetical genomics approach.

  20. Zeroth-order exchange energy as a criterion for optimized atomic basis sets in interatomic force calculations

    International Nuclear Information System (INIS)

    Varandas, A.J.C.

    1980-01-01

    A suggestion is made for using the zeroth-order exchange term, at the one-exchange level, in the perturbation development of the interaction energy as a criterion for optmizing the atomic basis sets in interatomic force calculations. The approach is illustrated for the case of two helium atoms. (orig.)

  1. Perturbed effects at radiation physics

    International Nuclear Information System (INIS)

    Külahcı, Fatih; Şen, Zekâi

    2013-01-01

    Perturbation methodology is applied in order to assess the linear attenuation coefficient, mass attenuation coefficient and cross-section behavior with random components in the basic variables such as the radiation amounts frequently used in the radiation physics and chemistry. Additionally, layer attenuation coefficient (LAC) and perturbed LAC (PLAC) are proposed for different contact materials. Perturbation methodology provides opportunity to obtain results with random deviations from the average behavior of each variable that enters the whole mathematical expression. The basic photon intensity variation expression as the inverse exponential power law (as Beer–Lambert's law) is adopted for perturbation method exposition. Perturbed results are presented not only in terms of the mean but additionally the standard deviation and the correlation coefficients. Such perturbation expressions provide one to assess small random variability in basic variables. - Highlights: • Perturbation methodology is applied to Radiation Physics. • Layer attenuation coefficient (LAC) and perturbed LAC are proposed for contact materials. • Perturbed linear attenuation coefficient is proposed. • Perturbed mass attenuation coefficient (PMAC) is proposed. • Perturbed cross-section is proposed

  2. Dynamical instability induced by the zero mode under symmetry breaking external perturbation

    International Nuclear Information System (INIS)

    Takahashi, J.; Nakamura, Y.; Yamanaka, Y.

    2014-01-01

    A complex eigenvalue in the Bogoliubov–de Gennes equations for a stationary Bose-Einstein condensate in the ultracold atomic system indicates the dynamical instability of the system. We also have the modes with zero eigenvalues for the condensate, called the zero modes, which originate from the spontaneous breakdown of symmetries. Although the zero modes are suppressed in many theoretical analyses, we take account of them in this paper and argue that a zero mode can change into one with a pure imaginary eigenvalue by applying a symmetry breaking external perturbation potential. This emergence of a pure imaginary mode adds a new type of scenario of dynamical instability to that characterized by the complex eigenvalue of the usual excitation modes. For illustration, we deal with two one-dimensional homogeneous Bose–Einstein condensate systems with a single dark soliton under a respective perturbation potential, breaking the invariance under translation, to derive pure imaginary modes. - Highlights: • Zero modes are important but ignored in many theories for the cold atomic system. • We discuss the zero mode under symmetry breaking potential in this system. • We consider the zero mode of translational invariance for a single dark soliton. • We show that it turns into an anomalous or pure imaginary mode

  3. The Confined Hydrogen Atom with a Moving Nucleus

    Science.gov (United States)

    Fernandez, Francisco M.

    2010-01-01

    We study the hydrogen atom confined to a spherical box with impenetrable walls but, unlike earlier pedagogical articles on the subject, we assume that the nucleus also moves. We obtain the ground-state energy approximately by means of first-order perturbation theory and show that it is greater than that for the case in which the nucleus is clamped…

  4. Atomic effects in tritium beta-decay. II. Muon to electron conversion in atoms

    International Nuclear Information System (INIS)

    Wampler, K.D.

    1989-01-01

    I. The final-state, atomic effects in the low energy end of the tritium beta decay spectrum are studied in detail. The author treats the instantaneous, two-electron repulsion in the final state, effectively to all orders in perturbation theory, by solving the eigenvalue problem with a discretized and truncated form of the Hamiltonian. He finds that these effects fail to explain the distortion in the spectrum observed by Simpson (Phys. Rev. Lett. 54, 649 (1985)). Simpson attributed this distortion to the admixture of a heavy mass antineutrino in the outgoing electron antineutrino state. In fact, the final-state Coulomb effects enhance the distortion. This calculation clears up some of the ambiguities of other theoretical analyses based on considerations of screening functions and perturbation theory. II. He presents a phenomenological study of separate lepton number violating muon to electron conversion in atoms. Previous work on this process has concentrated on elastic transitions where the nucleus characteristics have the gate on the substrate and the source-drain contacts on the top of the sample. The first use as an FET dielectric is reported of hydrogenated amorphous silicon-carbon (prepared from silane and propane mixture), photo-oxidised by UV lamp or laser. These FETs have similar characteristics to those with silicon nitride gate insulator but without the difficulties of preparing good insulator/semiconductor interfaces. Using the same materials attempts have been made to produce charge coupled devices

  5. Experimental investigations of an air curtain device subjected to external perturbations

    International Nuclear Information System (INIS)

    Havet, M.; Rouaud, O.; Solliec, C.

    2003-01-01

    Although plane air jets are often used as dynamic barriers to separate two environments, only a few works have explored their sensitivity to perturbations. We investigated the influence of sharp changes of pressure on the flow field of a device designed to avoid air-borne contamination. Laser tomography and tracer gas experiments clearly indicate that the air curtain is strongly sensitive to perturbations such as draughts. The results highlight that the control of air curtains used in open protection devices should be further investigated

  6. Calculation of parameters of the interaction potential between excited alkali atoms and mercury atoms: The Cs*, Pr*-Hg interaction

    International Nuclear Information System (INIS)

    Glushkov, A.V.

    1994-01-01

    Based on the method of effective potential involving the new polarization interaction potential calculated from polarization diagrams of the perturbation theory in the Thomas-Fermi approximation, the main parameters of the interatomic potentials (equilibrium distances, potential well depth) are evaluated for a system consisting of an alkali atom in the ground and excited states and of a mercury atom. The results of calculations of quasi-molecular terms for the A-Hg system, where A = Na, Cs, Fr, are reported, some of which are obtained for the first time. A comparison is made with available experimental and theoretical data. 29 refs., 2 figs., 1 tab

  7. Behavior of Rydberg atoms at surfaces: energy level shifts and ionization

    Energy Technology Data Exchange (ETDEWEB)

    Dunning, F.B. E-mail: fbd@rice.edu; Dunham, H.R.; Oubre, C.; Nordlander, P

    2003-04-01

    The ionization of xenon atoms excited to the extreme red and blue states in high-lying Xe(n) Stark manifolds at a metal surface is investigated. The data show that, despite their very different initial spatial characteristics, the extreme members of a given Stark manifold ionize at similar atom/surface separations. This is explained, with the aid of complex scaling calculations, in terms of the strong perturbations in the energies and structure of the atomic states induced by the presence of the surface which lead to avoided crossings between neighboring levels as the surface is approached.

  8. Behavior of Rydberg atoms at surfaces: energy level shifts and ionization

    CERN Document Server

    Dunning, F B; Oubre, C D; Nordlander, P

    2003-01-01

    The ionization of xenon atoms excited to the extreme red and blue states in high-lying Xe(n) Stark manifolds at a metal surface is investigated. The data show that, despite their very different initial spatial characteristics, the extreme members of a given Stark manifold ionize at similar atom/surface separations. This is explained, with the aid of complex scaling calculations, in terms of the strong perturbations in the energies and structure of the atomic states induced by the presence of the surface which lead to avoided crossings between neighboring levels as the surface is approached.

  9. Intermolecular symmetry-adapted perturbation theory study of large organic complexes

    International Nuclear Information System (INIS)

    Heßelmann, Andreas; Korona, Tatiana

    2014-01-01

    Binding energies for the complexes of the S12L database by Grimme [Chem. Eur. J. 18, 9955 (2012)] were calculated using intermolecular symmetry-adapted perturbation theory combined with a density-functional theory description of the interacting molecules. The individual interaction energy decompositions revealed no particular change in the stabilisation pattern as compared to smaller dimer systems at equilibrium structures. This demonstrates that, to some extent, the qualitative description of the interaction of small dimer systems may be extrapolated to larger systems, a method that is widely used in force-fields in which the total interaction energy is decomposed into atom-atom contributions. A comparison of the binding energies with accurate experimental reference values from Grimme, the latter including thermodynamic corrections from semiempirical calculations, has shown a fairly good agreement to within the error range of the reference binding energies

  10. Spectroscopy of systems of two identical atoms: effects of quantum interference

    International Nuclear Information System (INIS)

    Makarov, A.A.; Yudson, V.I.

    2017-01-01

    Several effects of quantum interference in spectroscopy of a system of two atoms are discussed. (i) In the system of spatially separated atoms in a one-dimensional (1D) geometry (a single-mode waveguide or photon crystal), a (meta)stable excited entangled state can be formed, its decay being very sensitive to the distance between the atoms and to perturbations which cause a difference between their resonance frequencies. (ii) In a system of closely located atoms in 3D space, the extreme sensitivity of absorption and fluorescence spectra to the direction of the applied magnetic field is demonstrated. These theoretical predictions can be useful for the quantum information processing and ultrasensitive measurements.

  11. Perturbative anyon gas

    International Nuclear Information System (INIS)

    Dasnieres de Veigy, A.; Ouvry, S.; Paris-6 Univ., 75

    1992-06-01

    The problem of the statistical mechanics of an anyon gas is addressed. A perturbative analysis in the anyonic coupling constant α is reviewed, and the thermodynamical potential is computed at first and second order. An adequate second quantized formalism (field theory at finite temperature) is proposed. At first order in perturbation theory, the results are strikingly simple: only the second virial coefficient close to bosonic statistics is corrected. At second order, however, the complexity of the anyon model appears. One can compute exactly the perturbative correction to each cluster coefficient. However, and contrary to first order, a closed expression for the equation of state seems out of reach. As an illustration, the perturbative expressions of a 3 , a 4 , a 5 and a 6 are given at second order. Finally, using the same formalism, the equation of state of an anyon gas in a constant magnetic field is analyzed at first order in perturbation theory. (K.A.) 16 refs.; 3 figs.; 7 tabs

  12. Perturbation theory

    International Nuclear Information System (INIS)

    Bartlett, R.; Kirtman, B.; Davidson, E.R.

    1978-01-01

    After noting some advantages of using perturbation theory some of the various types are related on a chart and described, including many-body nonlinear summations, quartic force-field fit for geometry, fourth-order correlation approximations, and a survey of some recent work. Alternative initial approximations in perturbation theory are also discussed. 25 references

  13. Teleportation of Atomic States in a Vacuum-Induced Environment

    International Nuclear Information System (INIS)

    Liu Jin; Shao Bin; Xiang Shaohua; Zou Jian

    2009-01-01

    We present a scheme for teleporting atomic state through a dissipative quantum channel induced by spontaneous emission and investigate the destructive effect of the atomic decay on the success probability and the fidelity of teleportation associated to different channels. It is found that there exists an optimal channel to realize faithful teleportation.

  14. Ionization of xenon Rydberg atoms at Si(1 0 0) surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Dunham, H.R. [Department of Physics and Astronomy, Rice University MS-61, 6100 Main Street, Houston, TX 77005-1892 (United States); Wethekam, S. [Institut fuer Physik der Humboldt-Universitaet zu Berlin, Newtonstra. 15, D-12489, Berlin (Germany); Lancaster, J.C. [Department of Physics and Astronomy, Rice University MS-61, 6100 Main Street, Houston, TX 77005-1892 (United States); Dunning, F.B. [Department of Physics and Astronomy, Rice University MS-61, 6100 Main Street, Houston, TX 77005-1892 (United States)]. E-mail: fbd@rice.edu

    2007-03-15

    The ionization of xenon Rydberg atoms excited to the lowest states in the n = 17 and n = 20 Stark manifolds at Si(1 0 0) surfaces is investigated. It is shown that, under appropriate conditions, a sizable fraction of the incident atoms can be detected as ions. Although the onset in the ion signal is perturbed by stray fields present at the surface, the data are consistent with ionization rates similar to those measured earlier at metal surfaces.

  15. Hydrogen, oxygen and hydroxyl on porous silicon surface: A joint density-functional perturbation theory and infrared spectroscopy approach

    International Nuclear Information System (INIS)

    Alfaro, Pedro; Palavicini, Alessio; Wang, Chumin

    2014-01-01

    Based on the density functional perturbation theory (DFPT), infrared absorption spectra of porous silicon are calculated by using an ordered pore model, in which columns of silicon atoms are removed along the [001] direction and dangling bonds are initially saturated with hydrogen atoms. When these atoms on the pore surface are gradually replaced by oxygen ones, the ab-initio infrared absorption spectra reveal oxygen, hydroxyl, and coupled hydrogen–oxygen vibrational modes. In a parallel way, freestanding porous silicon samples were prepared by using electrochemical etching and they were further thermally oxidized in a dry oxygen ambient. Fourier transform infrared spectroscopy was used to investigate the surface modifications caused by oxygen adsorption. In particular, the predicted hydroxyl and oxygen bound to the silicon pore surface are confirmed. Finally, a global analysis of measured transmittance spectra has been performed by means of a combined DFPT and thin-film optics approach. - Highlights: • The density functional perturbation theory is used to study infrared absorption. • An ordered pore model is used to investigate the oxidation in porous silicon (PSi). • Infrared transmittance spectra of oxidized PSi freestanding samples are measured

  16. Charge transfer rates for xenon Rydberg atoms at metal and semiconductor surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Dunning, F.B. [Department of Physics and Astronomy, Rice University, MS 61, 6100 Main Street, Houston, TX 77005-1892 (United States)]. E-mail: fbd@rice.edu; Wethekam, S. [Institut fuer Physik der Humboldt-Universitaet zu Berlin, Newtonstr. 15, D-12489 Berlin (Germany); Dunham, H.R. [Department of Physics and Astronomy, Rice University, MS 61, 6100 Main Street, Houston, TX 77005-1892 (United States); Lancaster, J.C. [Department of Physics and Astronomy, Rice University, MS 61, 6100 Main Street, Houston, TX 77005-1892 (United States)

    2007-05-15

    Recent progress in the study of charge exchange between xenon Rydberg atoms and surfaces is reviewed. Experiments using Au(1 1 1) surfaces show that under appropriate conditions each incident atom can be detected as an ion. The ionization dynamics, however, are strongly influenced by the perturbations in the energies and structure of the atomic states that occur as the ion collection field is applied and as the atom approaches the surface. These lead to avoided crossings between different atomic levels causing the atom to successively assume the character of a number of different states and lose much of its initial identity. The effects of this mixing are discussed. Efficient surface ionization is also observed at Si(1 0 0) surfaces although the ion signal is influenced by stray fields present at the surface.

  17. Communication: Random phase approximation renormalized many-body perturbation theory

    International Nuclear Information System (INIS)

    Bates, Jefferson E.; Furche, Filipp

    2013-01-01

    We derive a renormalized many-body perturbation theory (MBPT) starting from the random phase approximation (RPA). This RPA-renormalized perturbation theory extends the scope of single-reference MBPT methods to small-gap systems without significantly increasing the computational cost. The leading correction to RPA, termed the approximate exchange kernel (AXK), substantially improves upon RPA atomization energies and ionization potentials without affecting other properties such as barrier heights where RPA is already accurate. Thus, AXK is more balanced than second-order screened exchange [A. Grüneis et al., J. Chem. Phys. 131, 154115 (2009)], which tends to overcorrect RPA for systems with stronger static correlation. Similarly, AXK avoids the divergence of second-order Møller-Plesset (MP2) theory for small gap systems and delivers a much more consistent performance than MP2 across the periodic table at comparable cost. RPA+AXK thus is an accurate, non-empirical, and robust tool to assess and improve semi-local density functional theory for a wide range of systems previously inaccessible to first-principles electronic structure calculations

  18. Refined OPLS All-Atom Force Field for Saturated Phosphatidylcholine Bilayers at Full Hydration

    DEFF Research Database (Denmark)

    Maciejewski, A.; Pasenkiewicz-Gierula, M.; Cramariuc, O.

    2014-01-01

    validation, and it is also one of the highly important and abundant lipid types, e.g., in lung surfactant. Overall, PCs have not been previously parametrized in the OPLS-AA force field; thus, there is a need to derive its bonding and nonbonding parameters for both the polar and nonpolar parts of the molecule....... In the present study, we determined the parameters for torsion angles in the phosphatidylcholine and glycerol moieties and in the acyl chains, as well the partial atomic charges. In these calculations, we used three methods: (1) Hartree-Fock (HF), (2) second order Moller-Plesset perturbation theory (MP2), and (3...... one was found to be able to satisfactorily reproduce experimental data for the lipid bilayer. The successful DPPC model was obtained from MP2 calculations in an implicit polar environment (PCM)....

  19. Developments in perturbation theory

    International Nuclear Information System (INIS)

    Greenspan, E.

    1976-01-01

    Included are sections dealing with perturbation expressions for reactivity, methods for the calculation of perturbed fluxes, integral transport theory formulations for reactivity, generalized perturbation theory, sensitivity and optimization studies, multigroup calculations of bilinear functionals, and solution of inhomogeneous Boltzmann equations with singular operators

  20. Atomic structure of highly-charged ions. Final report

    International Nuclear Information System (INIS)

    Livingston, A. Eugene

    2002-01-01

    Atomic properties of multiply charged ions have been investigated using excitation of energetic heavy ion beams. Spectroscopy of excited atomic transitions has been applied from the visible to the extreme ultraviolet wavelength regions to provide accurate atomic structure and transition rate data in selected highly ionized atoms. High-resolution position-sensitive photon detection has been introduced for measurements in the ultraviolet region. The detailed structures of Rydberg states in highly charged beryllium-like ions have been measured as a test of long-range electron-ion interactions. The measurements are supported by multiconfiguration Dirac-Fock calculations and by many-body perturbation theory. The high-angular-momentum Rydberg transitions may be used to establish reference wavelengths and improve the accuracy of ionization energies in highly charged systems. Precision wavelength measurements in highly charged few-electron ions have been performed to test the most accurate relativistic atomic structure calculations for prominent low-lying excited states. Lifetime measurements for allowed and forbidden transitions in highly charged few-electron ions have been made to test theoretical transition matrix elements for simple atomic systems. Precision lifetime measurements in laser-excited alkali atoms have been initiated to establish the accuracy of relativistic atomic many-body theory in many-electron systems

  1. PerturbationAnalyzer: a tool for investigating the effects of concentration perturbation on protein interaction networks.

    Science.gov (United States)

    Li, Fei; Li, Peng; Xu, Wenjian; Peng, Yuxing; Bo, Xiaochen; Wang, Shengqi

    2010-01-15

    The propagation of perturbations in protein concentration through a protein interaction network (PIN) can shed light on network dynamics and function. In order to facilitate this type of study, PerturbationAnalyzer, which is an open source plugin for Cytoscape, has been developed. PerturbationAnalyzer can be used in manual mode for simulating user-defined perturbations, as well as in batch mode for evaluating network robustness and identifying significant proteins that cause large propagation effects in the PINs when their concentrations are perturbed. Results from PerturbationAnalyzer can be represented in an intuitive and customizable way and can also be exported for further exploration. PerturbationAnalyzer has great potential in mining the design principles of protein networks, and may be a useful tool for identifying drug targets. PerturbationAnalyzer can be accessed from the Cytoscape web site http://www.cytoscape.org/plugins/index.php or http://biotech.bmi.ac.cn/PerturbationAnalyzer. Supplementary data are available at Bioinformatics online.

  2. Single atom oscillations

    International Nuclear Information System (INIS)

    Wiorkowski, P.; Walther, H.

    1990-01-01

    Modern methods of laser spectroscopy allow the study of single atoms or ions in an unperturbed environment. This has opened up interesting new experiments, among them the detailed study of radiation-atom coupling. In this paper, the following two experiments dealing with this problem are reviewed: the single-atom maser and the study of the resonance fluorescence of a single stored ion. The simplest and most fundamental system for studying radiation-matter coupling is a single two-level atom interacting with a single mode of an electromagnetic field in a cavity. This problem received a great deal of attention shortly after the maser was invented

  3. Effects of an electric field on the confined hydrogen atom in a parabolic potential well

    International Nuclear Information System (INIS)

    Xie Wenfang

    2009-01-01

    Using the perturbation method, the confined hydrogen atom by a parabolic potential well is investigated. The binding energy of the confined hydrogen atom in a parabolic potential well is calculated as a function of the confined potential radius and as a function of the intensity of an applied electric field. It is shown that the binding energy of the confined hydrogen atom is highly dependent on the confined potential radius and the intensity of an applied electric field.

  4. Modified method of perturbed stationary states. I

    International Nuclear Information System (INIS)

    Green, T.A.

    1978-10-01

    The reaction coordinate approach of Mittleman is used to generalize the method of Perturbed Stationary States. A reaction coordinate is defined for each state in the scattering expansion in terms of parameters which depend on the internuclear separation. These are to be determined from a variational principle described by Demkov. The variational result agrees with that of Bates and McCarroll in the limit of separated atoms, but is generally different elsewhere. The theory is formulated for many-electron systems, and the construction of the scattering expansion is discussed for simple one-, two-, and three-electron systsm. The scattering expansion and the Lagrangian for the radial scattering functions are given in detail for a heteronuclear one-electron system. 2 figures

  5. Multiphoton processes for atoms in intense electromagnetic fields

    Energy Technology Data Exchange (ETDEWEB)

    Collins, L.A.; Abdallah, J.; Csanak, G.

    1995-12-31

    Lasers from table-top to giant ICF facilities that produce intense electromagnetic fields (10{sup 14}-10{sup 21} W/cm{sup 2}) have become important tools in probing the intricate nature of matter-radiation interactions. At such intensities, the laser field equals or exceeds that which binds electrons to an atom or molecule, and a new realm of physics opens in which perturbation theory may no longer suffice. We are developing several sophisticated techniques for treating atoms in such a regime, concentrating on two-photon X-ray absorption in intermediate-weight atoms and on laser-assisted electron-atom collisions. We perform most calculations in a time-independent frame in which field-free scattering formalisms can be invoked. We also investigate time-dependent methods in order to study transient effects. This is the final report of a three-year Laboratory-Directed Research and Development (LDRD) project at the Los Alamos National Laboratory (LANL).

  6. Difference scheme for a singularly perturbed parabolic convection-diffusion equation in the presence of perturbations

    Science.gov (United States)

    Shishkin, G. I.

    2015-11-01

    An initial-boundary value problem is considered for a singularly perturbed parabolic convection-diffusion equation with a perturbation parameter ɛ (ɛ ∈ (0, 1]) multiplying the highest order derivative. The stability of a standard difference scheme based on monotone approximations of the problem on a uniform mesh is analyzed, and the behavior of discrete solutions in the presence of perturbations is examined. The scheme does not converge ɛ-uniformly in the maximum norm as the number of its grid nodes is increased. When the solution of the difference scheme converges, which occurs if N -1 ≪ ɛ and N -1 0 ≪ 1, where N and N 0 are the numbers of grid intervals in x and t, respectively, the scheme is not ɛ-uniformly well conditioned or stable to data perturbations in the grid problem and to computer perturbations. For the standard difference scheme in the presence of data perturbations in the grid problem and/or computer perturbations, conditions on the "parameters" of the difference scheme and of the computer (namely, on ɛ, N, N 0, admissible data perturbations in the grid problem, and admissible computer perturbations) are obtained that ensure the convergence of the perturbed solutions. Additionally, the conditions are obtained under which the perturbed numerical solution has the same order of convergence as the solution of the unperturbed standard difference scheme.

  7. Non-Perturbative Asymptotic Improvement of Perturbation Theory and Mellin-Barnes Representation

    Directory of Open Access Journals (Sweden)

    Samuel Friot

    2010-10-01

    Full Text Available Using a method mixing Mellin-Barnes representation and Borel resummation we show how to obtain hyperasymptotic expansions from the (divergent formal power series which follow from the perturbative evaluation of arbitrary ''N-point'' functions for the simple case of zero-dimensional φ4 field theory. This hyperasymptotic improvement appears from an iterative procedure, based on inverse factorial expansions, and gives birth to interwoven non-perturbative partial sums whose coefficients are related to the perturbative ones by an interesting resurgence phenomenon. It is a non-perturbative improvement in the sense that, for some optimal truncations of the partial sums, the remainder at a given hyperasymptotic level is exponentially suppressed compared to the remainder at the preceding hyperasymptotic level. The Mellin-Barnes representation allows our results to be automatically valid for a wide range of the phase of the complex coupling constant, including Stokes lines. A numerical analysis is performed to emphasize the improved accuracy that this method allows to reach compared to the usual perturbative approach, and the importance of hyperasymptotic optimal truncation schemes.

  8. Non-physical practice improves task performance in an unstable, perturbed environment: Motor imagery and observational balance training

    Directory of Open Access Journals (Sweden)

    Wolfgang eTaube

    2014-12-01

    Full Text Available For consciously performed motor tasks executed in a defined and constant way, both motor imagery (MI and action observation (AO have been shown to promote motor learning. It is not known whether these forms of non-physical training also improve motor actions when these actions have to be variably applied in an unstable and unpredictable environment. The present study therefore investigated the influence of MI balance training (MI_BT and a balance training combining AO and MI (AO+MI_BT on postural control of undisturbed and disturbed upright stance on unstable ground. As spinal reflex excitability after classical (i.e., physical balance training (BT is generally decreased, we tested whether non-physical BT also has an impact on spinal reflex circuits. Thirty-six participants were randomly allocated into an MI_BT group, in which participants imagined postural exercises, an AO+MI_BT group, in which participants observed videos of other people performing balance exercises and imagined being the person in the video, and a non-active control group (CON. Before and after 4 weeks of non-physical training, balance performance was assessed on a free-moving platform during stance without perturbation and during perturbed stance. Soleus H-reflexes were recorded during stable and unstable stance. The post measurement revealed significantly decreased postural sway during undisturbed and disturbed stance after both MI_BT and AO+MI_BT. Spinal reflex excitability remained unchanged. This is the first study showing that non-physical training (MI_BT and AO+MI_BT not only promotes motor learning of ‘rigid’ postural tasks but also improves performance of highly variable and unpredictable balance actions. These findings may be relevant to improve postural control and thus reduce the risk of falls in temporarily immobilized patients.

  9. Evidence for $\\pi K$ -atoms with DIRAC-II

    CERN Document Server

    Allkofer, Yves

    2008-01-01

    DIRAC-II is a fixed-target experiment at the CERN Proton Synchroton (PS) which has been designed to search for piK atoms, a bound state of a pi±K± pair, and measure their lifetime. These atoms are observed through an excess of low energetic piK pairs over the background, detected in the two spectrometer arms. This excess comes from the ionization of piK atoms in the target and can be related to their mean life. The piK S-wave scattering length combination |a1/2 - a3/2| (for isospin 1/2 and 3/2) can be related to the latter. The aim of the upgraded DIRAC-II experiment is a measurement of the scattering length combination |a1/2 - a3/2| with a precision of 5%. piK atoms have not been observed so far. The original DIRAC experiment was designed to measure the scattering lengths of pipi atoms. So far, close to 15 000 atoms have been detected, leading to a precision on |a0 - a2| which is better than 10%. In chiral perturbation theories (ChPT) the pipi scattering lengths have been calculated with 2% precision a...

  10. Lamb shift of an atom in a dielectric medium

    International Nuclear Information System (INIS)

    Milonni, P.W.; Schaden, M.; Spruch, L.

    1999-01-01

    Adapting an approach used by Feynman for the Lamb shift of an isolated atom, we obtain a nonperturbative expression for the Lamb shift of an atom in a dielectric medium, previously calculated perturbatively [P. W. Milonni, J. Mod. Opt. 42, 1191 (1995)]. The separation of the Lamb and Casimir components of the field energy is greatly simplified, and previous nonperturbative results for the Lamb shift [M. Schaden, L. Spruch, and F. Zhou, Phys. Rev. A 57, 1108 (1998)], based on the generalized argument theorem, are obtained much more easily and directly. copyright 1999 The American Physical Society

  11. Dynamical polarizability of atoms

    International Nuclear Information System (INIS)

    Mukhopadhyay, G.; Lundqvist, S.

    1980-07-01

    The frequency-dependent polarizability of a closed-shell atom is considered in an RPA type approximation. This is usually done using many-body perturbation theory but can also be recast into the form of equations for the density oscillations as previously shown by the authors. The latter approach is known to lead to a non-hermitian problem because of the structure of the interaction kernel. This note shows that this is also true if using the reaction matrix method. The main result is to derive the expression for the polarizability function taking into account the non-hermitian nature of the problem. (author)

  12. Effects of a static electric field on two-color photoassociation between different atoms

    International Nuclear Information System (INIS)

    Chakraborty, Debashree; Deb, Bimalendu

    2014-01-01

    We study non-perturbative effects of a static electric field on two-color photoassociation of different atoms. A static electric field induces anisotropy in scattering between two different atoms and hybridizes field-free rotational states of heteronuclear dimers or polar molecules. In a previous paper [D. Chakraborty et al., J. Phys. B 44, 095201 (2011)], the effects of a static electric field on one-color photoassociation between different atoms has been described through field-modified ground-state scattering states, neglecting electric field effects on heteronuclear diatomic bound states. To study the effects of a static electric field on heteronuclear bound states, and the resulting influence on Raman-type two-color photoassociation between different atoms in the presence of a static electric field, we develop a non-perturbative numerical method to calculate static electric field-dressed heteronuclear bound states. We show that the static electric field induced scattering anisotropy as well as hybridization of rotational states strongly influence two-color photoassociation spectra, leading to significant enhancement in PA rate and large shift. In particular, for static electric field strengths of a few hundred kV/cm, two-color PA rate involving high-lying bound states in electronic ground-state increases by several orders of magnitude even in the weak photoassociative coupling regime

  13. Optimal control of complex atomic quantum systems.

    Science.gov (United States)

    van Frank, S; Bonneau, M; Schmiedmayer, J; Hild, S; Gross, C; Cheneau, M; Bloch, I; Pichler, T; Negretti, A; Calarco, T; Montangero, S

    2016-10-11

    Quantum technologies will ultimately require manipulating many-body quantum systems with high precision. Cold atom experiments represent a stepping stone in that direction: a high degree of control has been achieved on systems of increasing complexity. However, this control is still sub-optimal. In many scenarios, achieving a fast transformation is crucial to fight against decoherence and imperfection effects. Optimal control theory is believed to be the ideal candidate to bridge the gap between early stage proof-of-principle demonstrations and experimental protocols suitable for practical applications. Indeed, it can engineer protocols at the quantum speed limit - the fastest achievable timescale of the transformation. Here, we demonstrate such potential by computing theoretically and verifying experimentally the optimal transformations in two very different interacting systems: the coherent manipulation of motional states of an atomic Bose-Einstein condensate and the crossing of a quantum phase transition in small systems of cold atoms in optical lattices. We also show that such processes are robust with respect to perturbations, including temperature and atom number fluctuations.

  14. Spheroidal corrections to the spherical and parabolic bases of the hydrogen atom

    International Nuclear Information System (INIS)

    Mardyan, L.G.; Pogosyan, G.S.; Sisakyan, A.N.

    1986-01-01

    This paper introduces the bases of the hydrogen atom and obtains recursion relations that determine the expansion of the spheroidal basis with respect to its parabolic basis. The leading spheroidal corrections to the spherical and parabolic bases are calculated by perturbation theory

  15. Photoexcitation and ionization of hydrogen atom confined in Debye environment

    International Nuclear Information System (INIS)

    Lumb, S.; Lumb, S.; Nautiyal, V.

    2015-01-01

    The dynamics of a hydrogen atom confined in an impenetrable spherical box and under the effect of Debye screening, in the presence of intense short laser pulses of few femtosecond is studied in detail. The energy spectra and wave functions have been calculated using Bernstein polynomial (B-polynomial) method. Variation of transition probabilities for various transitions due to changes in Debye screening length, confinement radius as well as the parameters characterizing applied laser pulse is studied and explained. The results are found to be in good agreement with the results obtained by others. The photoexcitation and ionization of the atom strongly depend on confinement radius and screening parameter. For small confinement radii and for some values of screening parameter the atom is found to be ionized easily. The dynamics of the atom can be easily controlled by varying pulse parameters

  16. Generation of a slow and continuous cesium atomic beam for an atomic clock

    International Nuclear Information System (INIS)

    Park, Sang Eon; Lee, Ho Seong; Shin, Eun-joo; Kwon, Taeg Yong; Yang, Sung Hoon; Cho, Hyuck

    2002-01-01

    A thermal atomic beam from a cesium oven was slowed down by use of the Hoffnagle modified white-light cooling technique. In addition, the atomic beam was collimated by use of a two-dimensional optical molasses that was installed transverse to the atomic-beam direction. The flux of the atomic beam was 2x10 10 atoms/s, an increase of a factor of 16 as a result of the collimation. The mean longitudinal velocity was ∼24.4 m/s, and the rms velocity spread of the slowed atomic beam was ∼1 m/s. Compared with other methods, we found that the Hoffnagle method is suitable for the generation of slow atomic beams to be used in an atomic clock, which requires an ultralow magnetic field environment. This atomic beam was deflected by an angle of 30 deg. by a one-dimensional optical molasses to separate it from laser light and high-velocity atoms

  17. Determination of ππ scattering lengths from measurement of π+π- atom lifetime

    International Nuclear Information System (INIS)

    Adeva, B.; Afanasyev, L.; Benayoun, M.; Benelli, A.; Berka, Z.; Brekhovskikh, V.; Caragheorgheopol, G.; Cechak, T.; Chiba, M.; Chliapnikov, P.V.; Ciocarlan, C.; Constantinescu, S.; Costantini, S.; Curceanu, C.; Doskarova, P.; Dreossi, D.; Drijard, D.; Dudarev, A.; Ferro-Luzzi, M.; Fungueirino Pazos, J.L.

    2011-01-01

    The DIRAC experiment at CERN has achieved a sizeable production of π + π - atoms and has significantly improved the precision on its lifetime determination. From a sample of 21 227 atomic pairs, a 4% measurement of the S-wave ππ scattering length difference |a 0 -a 2 |=(0.2533 -0.0078 +0.0080 | stat +0.0078 -0.0073 | syst )M π + -1 has been attained, providing an important test of Chiral Perturbation Theory.

  18. Development of the Atomic-Resolution Environmental Transmission Electron Microscope

    DEFF Research Database (Denmark)

    Gai, Pratibha L.; Boyes, Edward D.; Yoshida, Kenta

    2016-01-01

    The development of the novel atomic-resolution environmental transmission electron microscope (atomic-resolution ETEM) for directly probing dynamic gas–solid reactions in situ at the atomic level under controlled reaction conditions consisting of gas environment and elevated temperatures is descr......The development of the novel atomic-resolution environmental transmission electron microscope (atomic-resolution ETEM) for directly probing dynamic gas–solid reactions in situ at the atomic level under controlled reaction conditions consisting of gas environment and elevated temperatures...... is used to study steels, graphene, nanowires, etc. In this chapter, the experimental setup of the microscope column and its peripherals are described....

  19. Observation of dynamic atom-atom correlation in liquid helium in real space.

    Science.gov (United States)

    Dmowski, W; Diallo, S O; Lokshin, K; Ehlers, G; Ferré, G; Boronat, J; Egami, T

    2017-05-04

    Liquid 4 He becomes superfluid and flows without resistance below temperature 2.17 K. Superfluidity has been a subject of intense studies and notable advances were made in elucidating the phenomenon by experiment and theory. Nevertheless, details of the microscopic state, including dynamic atom-atom correlations in the superfluid state, are not fully understood. Here using a technique of neutron dynamic pair-density function (DPDF) analysis we show that 4 He atoms in the Bose-Einstein condensate have environment significantly different from uncondensed atoms, with the interatomic distance larger than the average by about 10%, whereas the average structure changes little through the superfluid transition. DPDF peak not seen in the snap-shot pair-density function is found at 2.3 Å, and is interpreted in terms of atomic tunnelling. The real space picture of dynamic atom-atom correlations presented here reveal characteristics of atomic dynamics not recognized so far, compelling yet another look at the phenomenon.

  20. Excitation of the hydrogen atom by fast-electron impact in the presence of a laser field

    International Nuclear Information System (INIS)

    Bhattacharya, M.; Sinha, C.; Sil, N.C.

    1991-01-01

    An approach has been developed to study the excitation of a ground-state H atom to the n=2 level under the simultaneous action of fast-electron impact and a monochromatic, linearly polarized, homogeneous laser beam. The laser frequency is assumed to be low (soft-photon limit) so that a stationary-state perturbation theory can be applied as is done in the adiabatic theory. An elegant method has been developed in the present work to construct the dressed excited-state wave functions of the H atom using first-order perturbation theory in the parabolic coordinate representation. By virtue of this method, the problem arising due to the degeneracy of the excited states of the H atom has been successfully overcome. The main advantage of the present approach is that the dressed wave function has been obtained in terms of a finite number of Laguerre polynomials instead of an infinite summation occurring in the usual perturbative treatment. The amplitude for direct excitation (without exchange) has been obtained in closed form. Numerical results for differential cross sections are presented for individual excitations to different Stark manifolds as well as for excitations to the n=2 level at high energies (100 and 200 eV) and for field directions both parallel and perpendicular to the incident electron momentum. Extension to a higher order of perturbation is also possible in the present approach for the construction of the dressed states, and the electron-exchange effect can also be taken into account without any further approximation

  1. Excitation of the hydrogen atom by fast-electron impact in the presence of a laser field

    Science.gov (United States)

    Bhattacharya, Manabesh; Sinha, C.; Sil, N. C.

    1991-08-01

    An approach has been developed to study the excitation of a ground-state H atom to the n=2 level under the simultaneous action of fast-electron impact and a monochromatic, linearly polarized, homogeneous laser beam. The laser frequency is assumed to be low (soft-photon limit) so that a stationary-state perturbation theory can be applied as is done in the adiabatic theory. An elegant method has been developed in the present work to construct the dressed excited-state wave functions of the H atom using first-order perturbation theory in the parabolic coordinate representation. By virtue of this method, the problem arising due to the degeneracy of the excited states of the H atom has been successfully overcome. The main advantage of the present approach is that the dressed wave function has been obtained in terms of a finite number of Laguerre polynomials instead of an infinite summation occurring in the usual perturbative treatment. The amplitude for direct excitation (without exchange) has been obtained in closed form. Numerical results for differential cross sections are presented for individual excitations to different Stark manifolds as well as for excitations to the n=2 level at high energies (100 and 200 eV) and for field directions both parallel and perpendicular to the incident electron momentum. Extension to a higher order of perturbation is also possible in the present approach for the construction of the dressed states, and the electron-exchange effect can also be taken into account without any further approximation.

  2. Optimization and benchmarking of a perturbative Metropolis Monte Carlo quantum mechanics/molecular mechanics program.

    Science.gov (United States)

    Feldt, Jonas; Miranda, Sebastião; Pratas, Frederico; Roma, Nuno; Tomás, Pedro; Mata, Ricardo A

    2017-12-28

    In this work, we present an optimized perturbative quantum mechanics/molecular mechanics (QM/MM) method for use in Metropolis Monte Carlo simulations. The model adopted is particularly tailored for the simulation of molecular systems in solution but can be readily extended to other applications, such as catalysis in enzymatic environments. The electrostatic coupling between the QM and MM systems is simplified by applying perturbation theory to estimate the energy changes caused by a movement in the MM system. This approximation, together with the effective use of GPU acceleration, leads to a negligible added computational cost for the sampling of the environment. Benchmark calculations are carried out to evaluate the impact of the approximations applied and the overall computational performance.

  3. Effects of xenon insertion into hydrogen bromide. Comparison of the electronic structure of the HBr···CO2 and HXeBr···CO2 complexes using quantum chemical topology methods: electron localization function, atoms in molecules and symmetry adapted perturbation theory.

    Science.gov (United States)

    Makarewicz, Emilia; Gordon, Agnieszka J; Mierzwicki, Krzysztof; Latajka, Zdzislaw; Berski, Slawomir

    2014-06-05

    Quantum chemistry methods have been applied to study the influence of the Xe atom inserted into the hydrogen-bromine bond (HBr → HXeBr), particularly on the nature of atomic interactions in the HBr···CO2 and HXeBr···CO2 complexes. Detailed analysis of the nature of chemical bonds has been carried out using topological analysis of the electron localization function, while topological analysis of electron density was used to gain insight into the nature of weak nonbonding interactions. Symmetry-adapted perturbation theory within the orbital approach was applied for greater understanding of the physical contributions to the total interaction energy.

  4. Stationary axially symmetric perturbations of a rotating black hole. [Space-time perturbation, Newman-Penrose formalism

    Energy Technology Data Exchange (ETDEWEB)

    Demianski, M [California Inst. of Tech., Pasadena (USA)

    1976-07-01

    A stationary axially symmetric perturbation of a rotating black hole due to a distribution of test matter is investigated. The Newman-Penrose spin coefficient formalism is used to derive a general set of equations describing the perturbed space-time. In a linear approximation it is shown that the mass and angular momentum of a rotating black hole is not affected by the perturbation. The metric perturbations near the horizon are given. It is concluded that given a perturbing test fluid distribution, one can always find a corresponding metric perturbation such that the mass and angular momentum of the black hole are not changed. It was also noticed that when a tends to M, those perturbed spin coefficients and components of the Weyl tensor which determine the intrinsic properties of the incoming null cone near the horizon grow indefinitely.

  5. Observation of Atom Wave Phase Shifts Induced by Van Der Waals Atom-Surface Interactions

    International Nuclear Information System (INIS)

    Perreault, John D.; Cronin, Alexander D.

    2005-01-01

    The development of nanotechnology and atom optics relies on understanding how atoms behave and interact with their environment. Isolated atoms can exhibit wavelike (coherent) behavior with a corresponding de Broglie wavelength and phase which can be affected by nearby surfaces. Here an atom interferometer is used to measure the phase shift of Na atom waves induced by the walls of a 50 nm wide cavity. To our knowledge this is the first direct measurement of the de Broglie wave phase shift caused by atom-surface interactions. The magnitude of the phase shift is in agreement with that predicted by Lifshitz theory for a nonretarded van der Waals interaction. This experiment also demonstrates that atom waves can retain their coherence even when atom-surface distances are as small as 10 nm

  6. The hydrogen atom in a magnetic field. Spectrum from the Coulomb dynamical group approach

    International Nuclear Information System (INIS)

    Delande, D.; Gay, J.C.

    1986-01-01

    Some sample results are presented for the problems of the hydrogen atom in a magnetic field. The energies have been computed for a typical Rydberg situation of atomic physics interest using limited computer facilities. The use of the Coulomb dynamical group allows a complete description of the symmetries and a rational choice of a Sturmian type basis set. Moreover, comparison with Rayleigh-Schrodinger perturbative expansions of the energies is performed. (author)

  7. Testing general relativity and alternative theories of gravity with space-based atomic clocks and atom interferometers

    Directory of Open Access Journals (Sweden)

    Bondarescu Ruxandra

    2015-01-01

    Full Text Available The successful miniaturisation of extremely accurate atomic clocks and atom interferometers invites prospects for satellite missions to perform precision experiments. We discuss the effects predicted by general relativity and alternative theories of gravity that can be detected by a clock, which orbits the Earth. Our experiment relies on the precise tracking of the spacecraft using its observed tick-rate. The spacecraft’s reconstructed four-dimensional trajectory will reveal the nature of gravitational perturbations in Earth’s gravitational field, potentially differentiating between different theories of gravity. This mission can measure multiple relativistic effects all during the course of a single experiment, and constrain the Parametrized Post-Newtonian Parameters around the Earth. A satellite carrying a clock of fractional timing inaccuracy of Δ f / f ∼ 10−16 in an elliptic orbit around the Earth would constrain the PPN parameters |β − 1|, |γ − 1| ≲ 10−6. We also briefly review potential constraints by atom interferometers on scalar tensor theories and in particular on Chameleon and dilaton models.

  8. Cavity-QED interactions of two correlated atoms

    Science.gov (United States)

    Esfandiarpour, Saeideh; Safari, Hassan; Bennett, Robert; Yoshi Buhmann, Stefan

    2018-05-01

    We consider the resonant van der Waals (vdW) interaction between two correlated identical two-level atoms (at least one of which being excited) within the framework of macroscopic cavity quantum electrodynamics in linear, dispersing and absorbing media. The interaction of both atoms with the body-assisted electromagnetic field of the cavity is assumed to be strong. Our time-independent evaluation is based on an extended Jaynes–Cummings model. For a system prepared in a superposition of its dressed states, we derive the general form of the vdW forces, using a Lorentzian single-mode approximation. We demonstrate the applicability of this approach by considering the case of a planar cavity and showing the position dependence of Rabi oscillations. We also show that in the limiting case of weak coupling, our results reproduce the perturbative ones for the case where the field is initially in vacuum state while the atomic state is in a superposition of two correlated states sharing one excitation.

  9. Eigenstates and dynamics of Hooke's atom: Exact results and path integral simulations

    Science.gov (United States)

    Gholizadehkalkhoran, Hossein; Ruokosenmäki, Ilkka; Rantala, Tapio T.

    2018-05-01

    The system of two interacting electrons in one-dimensional harmonic potential or Hooke's atom is considered, again. On one hand, it appears as a model for quantum dots in a strong confinement regime, and on the other hand, it provides us with a hard test bench for new methods with the "space splitting" arising from the one-dimensional Coulomb potential. Here, we complete the numerous previous studies of the ground state of Hooke's atom by including the excited states and dynamics, not considered earlier. With the perturbation theory, we reach essentially exact eigenstate energies and wave functions for the strong confinement regime as novel results. We also consider external perturbation induced quantum dynamics in a simple separable case. Finally, we test our novel numerical approach based on real-time path integrals (RTPIs) in reproducing the above. The RTPI turns out to be a straightforward approach with exact account of electronic correlations for solving the eigenstates and dynamics without the conventional restrictions of electronic structure methods.

  10. Measurement of Spectral Functions of Ultracold Atoms in Disordered Potentials

    Science.gov (United States)

    Volchkov, Valentin V.; Pasek, Michael; Denechaud, Vincent; Mukhtar, Musawwadah; Aspect, Alain; Delande, Dominique; Josse, Vincent

    2018-02-01

    We report on the measurement of the spectral functions of noninteracting ultracold atoms in a three-dimensional disordered potential resulting from an optical speckle field. Varying the disorder strength by 2 orders of magnitude, we observe the crossover from the "quantum" perturbative regime of low disorder to the "classical" regime at higher disorder strength, and find an excellent agreement with numerical simulations. The method relies on the use of state-dependent disorder and the controlled transfer of atoms to create well-defined energy states. This opens new avenues for experimental investigations of three-dimensional Anderson localization.

  11. The study of multiphoton ionization processes in hydrogen atoms

    International Nuclear Information System (INIS)

    Mohammad, M.A.

    1981-01-01

    In this thesis we investigate theoretically the multiphoton ionization of hydrogen atoms based on perturbation theory.The main problem in the numorical evaluation is the appearance of infinite summation over the matrix element and energy denominators of the intermediate state in the formula for ionization cross section.Our numerical result is in excellent agreement with other workers.In the last part of the thesis we have again calculated the two photon ionization of hydrogen atoms using momentum translation approximation of Reiss.The method in general is in fair agreement with other calculations but dose not show the resonance behaviour.(2 tabs., 1 fig., 45 refs.)

  12. Perturbative and constructive renormalization

    International Nuclear Information System (INIS)

    Veiga, P.A. Faria da

    2000-01-01

    These notes are a survey of the material treated in a series of lectures delivered at the X Summer School Jorge Andre Swieca. They are concerned with renormalization in Quantum Field Theories. At the level of perturbation series, we review classical results as Feynman graphs, ultraviolet and infrared divergences of Feynman integrals. Weinberg's theorem and Hepp's theorem, the renormalization group and the Callan-Symanzik equation, the large order behavior and the divergence of most perturbation series. Out of the perturbative regime, as an example of a constructive method, we review Borel summability and point out how it is possible to circumvent the perturbation diseases. These lectures are a preparation for the joint course given by professor V. Rivasseau at the same school, where more sophisticated non-perturbative analytical methods based on rigorous renormalization group techniques are presented, aiming at furthering our understanding about the subject and bringing field theoretical models to a satisfactory mathematical level. (author)

  13. X-ray diffraction from ideal mosaic crystals in external fields of certain types. I. Atomic displacements and the corresponding diffraction patterns

    International Nuclear Information System (INIS)

    Treushnikov, E.N.

    2000-01-01

    The problem of the theoretical description of X-ray diffraction from ideal mosaic crystals under the effect of various external fields has been formulated. Electric, magnetic, electromagnetic, and acoustic perturbations are considered. The atomic displacements in crystals under the effect of external fields and the types of the corresponding diffraction patterns are analyzed for various types of perturbations. The crystal classes are determined in which atomic displacements can be recorded experimentally. Diffraction patterns formed under the effect of various external factors are considered on the basis of the derived dependence of the structure factor on the characteristics of an applied force field

  14. Atomic dynamics with photon-dressed core states

    International Nuclear Information System (INIS)

    Robicheaux, F.

    1993-01-01

    This paper describes the atomic dynamics when a Rydberg atom is in a laser field which is resonant with a dipole-allowed core transition. The main approximation is to completely ignore the (short-range, direct) interaction of the outer electron with the resonant laser which is the same approximation used with great success in calculating the spectrum due to isolated core excitations (ICE). The atom autoionizes when the core absorbs a photon, because the electron can then inelastically scatter from the excited core state, gaining enough energy to escape the atom. Despite neglecting the direct interaction between the outermost electron and the laser, the laser profoundly affects the autoionization dynamics. This effect is incorporated through a frame transformation between the dressed and undressed core states which only utilizes the field free atomic scattering parameters. A two-color experiment is proposed which might be able to measure nonperturbative effects arising from the dressed core states. The usual ICE transition rate is obtained through a perturbative expansion. Generic effects are examined through a model problem. A calculation of the Mg spectrum when the driving laser is tuned to the 3s 1/2- 3p 1/2 or the 3s 1/2- 3p 3/2 transition is presented

  15. Stabilization of atoms with nonzero magnetic quantum numbers

    International Nuclear Information System (INIS)

    Sundaram, B.; Jensen, R.V.

    1993-01-01

    A classical analysis of the interaction of an atomic electron with an oscillating electric field with arbitrary initial quantum number, n, magnetic quantum number, m > 0, field strength, and frequency shows that the classical, dynamics for the perturbed electron can be stabilized for large fields and high frequencies. Using a four-dimensional map approximation to the classical dynamics, explicit expressions are obtained for the full parameter dependence of the boundaries of stability surrounding the open-quotes death valleyclose quotes of rapid classical ionization. A preliminary analysis of the quantum dynamics in terms of the quasienergy states associated with the corresponding quantum map is also included with particular emphasis on the role of unstable classical structures in stabilizing atoms. Together, these results provide motivation and direction for further theoretical and experimental studies of stabilization of atoms (and molecules) in super-intense microwave and laser fields

  16. H{sup +}{sub 2} ionization by ultra-short electromagnetic pulses investigated through a non-perturbative Coulomb-Volkov approach

    Energy Technology Data Exchange (ETDEWEB)

    RodrIguez, V D [Departamento de Fisica, FCEyN, Universidad de Buenos Aires, 1428 Buenos Aires (Argentina); Macri, P [Departamento de Fisica, FCEyN, Universidad de Buenos Aires, 1428 Buenos Aires (Argentina); Instituto de Astronomia y Fisica del Espacio, Consejo Nacional de Investigaciones CientIficas y Tecnicas, 1428 Buenos Aires (Argentina); Gayet, R [CELIA, Centre Lasers Intenses et Applications, UMR 5107, Unite Mixte de Recherche CNRS-CEA-Universite Bordeaux 1, Universite Bordeaux 1, 351 Cours de la Liberation, 33405 Talence Cedex (France)

    2005-08-14

    The sudden Coulomb-Volkov theoretical approximation has been shown to well describe atomic ionization by intense and ultra-short electromagnetic pulses, such as pulses generated by very fast highly-charged ions. This approach is extended here to investigate single ionization of homonuclear diatomic molecules by such pulses in the framework of one-active electron. Under particular conditions, a Young-like interference formula can approximately be factored out. Present calculations show interference effects originating from the molecular two-centre structure. Fivefold differential angular distributions of the ejected electron are studied as a function of the molecular orientation and internuclear distance. Both non-perturbative and perturbative regimes are examined. In the non-perturbative case, an interference pattern is visible but a main lobe, opposite to the electric field polarization direction, dominates the angular distribution. In contrast, in perturbation conditions the structure of interferences shows analogies to the Young-like interference pattern obtained in ionization of molecules by fast electron impacts. Finally, the strong dependence of these Young-like angular distributions on the internuclear distance is addressed.

  17. The exhibition Lumiere d'Atomes (Atoms light)

    International Nuclear Information System (INIS)

    Foos, Jacques

    1995-01-01

    Full text: This exhibition has been conceived in order to show for everybody, whatever his scientific level, the peaceful uses of transformations (natural or made by Man) and energetic possibilities of the atomic nucleus. The key-ideas of this exhibition were-: - nuclear applications a world of high technology; - nuclear industry men as the others; - nuclear energy an energetic independence. 6 themes were proposed: 1- Atoms and radioactivity; 2- The nuclear power stations; 3- The nuclear fuel cycle; 4- Surety and environment; 5- The other uses of radioactivity; 6- The French choice: The world nuclear data. This exhibition that comprises information posters, paintings, demonstration models, films and video games, was shown for the first time in Paris in april 1991. From this time, it was shown in many regional cities, with the help of SFEN members. 'Lumiere d'Atomes' received in 1991 the SFEN prize for its information on nuclear energy. (author)

  18. New Methods in Non-Perturbative QCD

    Energy Technology Data Exchange (ETDEWEB)

    Unsal, Mithat [North Carolina State Univ., Raleigh, NC (United States)

    2017-01-31

    In this work, we investigate the properties of quantum chromodynamics (QCD), by using newly developing mathematics and physics formalisms. Almost all of the mass in the visible universe emerges from a quantum chromodynamics (QCD), which has a completely negligible microscopic mass content. An intimately related issue in QCD is the quark confinement problem. Answers to non-perturbative questions in QCD remained largely elusive despite much effort over the years. It is also believed that the usual perturbation theory is inadequate to address these kinds of problems. Perturbation theory gives a divergent asymptotic series (even when the theory is properly renormalized), and there are non-perturbative phenomena which never appear at any order in perturbation theory. Recently, a fascinating bridge between perturbation theory and non-perturbative effects has been found: a formalism called resurgence theory in mathematics tells us that perturbative data and non-perturbative data are intimately related. Translating this to the language of quantum field theory, it turns out that non-perturbative information is present in a coded form in perturbation theory and it can be decoded. We take advantage of this feature, which is particularly useful to understand some unresolved mysteries of QCD from first principles. In particular, we use: a) Circle compactifications which provide a semi-classical window to study confinement and mass gap problems, and calculable prototypes of the deconfinement phase transition; b) Resurgence theory and transseries which provide a unified framework for perturbative and non-perturbative expansion; c) Analytic continuation of path integrals and Lefschetz thimbles which may be useful to address sign problem in QCD at finite density.

  19. Helium atom in a box: a fully quantal solution

    Energy Technology Data Exchange (ETDEWEB)

    Mitnik, D.M. [Departmento de Fisica, FCEyN, Universidad de Buenos Aires, and Instituto de Astronomia y Fisica del Espacio (IAFE), Casilla de Correo 67, Sucursal 28 (C1428EGA) Buenos Aires (Argentina)

    2007-06-15

    A complete non-perturbative solution of the Helium atom in a box problem is presented by developing two numerical techniques. The first technique is the direct solution by diagonalization of the Hamiltonian, and the second is based on a constrained relaxation of the wave functions. Time-dependent propagation of doubly-excited wave-functions is analyzed, allowing the calculation and the visualization of the autoionization process.

  20. Invariant exchange perturbation theory for multicenter systems and its application to the calculation of magnetic chains in manganites

    International Nuclear Information System (INIS)

    Orlenko, E. V.; Ershova, E. V.; Orlenko, F. E.

    2013-01-01

    The formalism of exchange perturbation theory is presented with regard to the general principles of constructing an antisymmetric vector with the use of the Young diagrams and tableaux in which the coordinate and spin parts are not separated. The form of the energy and wave function corrections coincides with earlier obtained expressions, which are reduced in the present paper to a simpler form of a symmetry-adapted perturbation operator, which preserves all intercenter exchange contributions. The exchange perturbation theory (EPT) formalism itself is presented in the standard form of invariant perturbation theory that takes into account intercenter electron permutations between overlapping nonorthogonal states. As an example of application of the formalism of invariant perturbation theory, we consider the magnetic properties of perovskite manganites La 1/3 Ca 2/3 MnO 3 that are associated with the charge and spin ordering in magnetic chains of manganese. We try to interpret the experimental results obtained from the study of the effect of doping the above alloys by the model of superexchange interaction in manganite chains that is constructed on the basis of the exchange perturbation theory (EPT) formalism. The model proposed makes it possible to carry out a quantitative analysis of the effect of substitution of manganese atoms by doping elements with different electron configurations on the electronic structure and short-range order in a magnetic chain of manganites

  1. Cosmological perturbation theory and quantum gravity

    Energy Technology Data Exchange (ETDEWEB)

    Brunetti, Romeo [Dipartimento di Matematica, Università di Trento,Via Sommarive 14, 38123 Povo TN (Italy); Fredenhagen, Klaus [II Institute für Theoretische Physik, Universität Hamburg,Luruper Chaussee 149, 22761 Hamburg (Germany); Hack, Thomas-Paul [Institute für Theoretische Physik, Universität Leipzig,Brüderstr. 16, 04103 Leipzig (Germany); Pinamonti, Nicola [Dipartimento di Matematica, Università di Genova,Via Dodecaneso 35, 16146 Genova (Italy); INFN, Sezione di Genova,Via Dodecaneso 33, 16146 Genova (Italy); Rejzner, Katarzyna [Department of Mathematics, University of York,Heslington, York YO10 5DD (United Kingdom)

    2016-08-04

    It is shown how cosmological perturbation theory arises from a fully quantized perturbative theory of quantum gravity. Central for the derivation is a non-perturbative concept of gauge-invariant local observables by means of which perturbative invariant expressions of arbitrary order are generated. In particular, in the linearised theory, first order gauge-invariant observables familiar from cosmological perturbation theory are recovered. Explicit expressions of second order quantities are presented as well.

  2. Optical Microcavity: Sensing down to Single Molecules and Atoms

    Directory of Open Access Journals (Sweden)

    Shu-Yu Su

    2011-02-01

    Full Text Available This review article discusses fundamentals of dielectric, low-loss, optical micro-resonator sensing, including figures of merit and a variety of microcavity designs, and future perspectives in microcavity-based optical sensing. Resonance frequency and quality (Q factor are altered as a means of detecting a small system perturbation, resulting in realization of optical sensing of a small amount of sample materials, down to even single molecules. Sensitivity, Q factor, minimum detectable index change, noises (in sensor system components and microcavity system including environments, microcavity size, and mode volume are essential parameters to be considered for optical sensing applications. Whispering gallery mode, photonic crystal, and slot-type microcavities typically provide compact, high-quality optical resonance modes for optical sensing applications. Surface Bloch modes induced on photonic crystals are shown to be a promising candidate thanks to large field overlap with a sample and ultra-high-Q resonances. Quantum optics effects based on microcavity quantum electrodynamics (QED would provide novel single-photo-level detection of even single atoms and molecules via detection of doublet vacuum Rabi splitting peaks in strong coupling.

  3. The influence of watershed perturbation on mercury loading in the littoral biofilms: preliminary results

    Energy Technology Data Exchange (ETDEWEB)

    Desrosiers, M.; Planas, D. [Quebec Univ., GEOTOP, Montreal. PQ, (Canada); Mucci, A.; Guignard, C. [McGill Univ., Dept. of Earth and Planetary Sciences, Montreal, PQ (Canada)

    1999-05-01

    Methylmercury accumulation in littoral biofilms associated with anthropogenic watershed perturbation (harvesting) was evaluated and compared to natural perturbation (forest fires) and undisturbed lakes. Communities in littoral zones are the main food resources for many fish species. In the littoral zone, biofilms are at the base of the food chain and may prove to be an important source of mercury to fish. A total of 15 lakes were studied, equally distributed among the three types of disturbances. Methylmercury analysis was done in biofilms grown on Teflon substrates suspended in the littoral zone. The methylmercury was extracted with 25 per cent KOH in methanol and its concentration measured by cold-vapour atomic fluorescence following ethylation and gas chromatographic separation. Preliminary results show that methylmercury concentrations on the substrates are correlated with the biofilm algal biomass. In turn, the algal biomass is correlated to the degree of watershed perturbation associated with increased nutrient input, i.e. an increase in biofilm biomass may lead to greater availability of methylmercury for organisms that feed on the algae. Based on these observations, it was suggested that algae may play a significant role in the bioaccumulation of methylmercury by higher trophic organisms. Watershed perturbations appear to increase the bioavailability of methylmercury for aquatic organisms by way of increased production and consumption of littoral biofilms. 11 refs.

  4. Perturbations i have Known and Loved

    Science.gov (United States)

    Field, Robert W.

    2011-06-01

    A spectroscopic perturbation is a disruption of a ^1Σ-^1Σ-like regular pattern that can embody level-shifts, extra lines, and intensity anomalies. Once upon a time, when a band was labeled ``perturbed,'' it was considered worthless because it could at best yield molecular constants unsuited for archival tables. Nevertheless, a few brave spectroscopists, notably Albin Lagerqvist and Richard Barrow, collected perturbations because they knew that the pattern of multiple perturbations formed an intricate puzzle that would eventually reveal the presence and electronic symmetry of otherwise unobservable electronic states. There are many kinds of patterns of broken patterns. In my PhD thesis I showed how to determine absolute vibrational assignments for the perturber from patterns among the observed values of perturbation matrix elements. When a ^3Π state is perturbed, its six (Ω, parity) components capture a pattern of level shifts and intensity anomalies that reveals more about the nature of the perturber than a simple perturbation of the single component of a ^1Σ state. In perturbation-facilitated OODR, a perturbed singlet level acts as a spectroscopic doorway through which the entire triplet manifold may be systematically explored. For polyatomic molecule vibrations, a vibrational polyad (a group of mutually perturbing vibrational levels, among which the perturbation matrix elements are expected to follow harmonic oscillator scaling rules) can contain more components than a ^3Π state and intrapolyad patterns can be exquisitely sensitive not merely to the nature of an interloper within the polyad but also to the eigenvector character of the vibronic state from which the polyad is viewed. Variation of scaled polyad interaction parameters from one polyad to the next, a pattern of patterns, can signal proximity to an isomerization barrier. Everything in Rydberg-land seems to scale as N⋆-3, yet a trespassing valence state causes all scaling and propensity rules go

  5. Interplay between tetrel and triel bonds in RC6H4CN⋯MF3CN⋯BX3 complexes: A combined symmetry-adapted perturbation theory, Møller-Plesset, and quantum theory of atoms-in-molecules study.

    Science.gov (United States)

    Yourdkhani, Sirous; Korona, Tatiana; Hadipour, Nasser L

    2015-12-15

    Intermolecular ternary complexes composed of: (1) the centrally placed trifluoroacetonitrile or its higher analogs with central carbon exchanged by silicon or germanium (M = C, Si, Ge), (2) the benzonitrile molecule or its para derivatives on one side, and (3) the boron trifluoride of trichloride molecule (X = F, Cl) on the opposite side as well as the corresponding intermolecular tetrel- and triel-bonded binary complexes, were investigated by symmetry-adapted perturbation theory (SAPT) and the supermolecular Møller-Plesset method (MP2) at the complete basis set limit for optimized geometries. A character of interactions was studied by quantum theory of atoms-in-molecules (QTAIM). A comparison of interaction energies and QTAIM bond descriptors for dimers and trimers reveals that tetrel and triel bonds increase in their strength if present together in the trimer. For the triel-bonded complex, this growth leads to a change of the bond character from closed-shell to partly covalent for Si or Ge tetrel atoms, so the resulting bonding scheme corresponds to a preliminary stage of the SN2 reaction. Limitations of the Lewis theory of acids and bases were shown by its failure in predicting the stability order of the triel complexes. The necessity of including interaction energy terms beyond the electrostatic component for an elucidation of the nature of σ- and π-holes was presented by a SAPT energy decomposition and by a study of differences in monomer electrostatic potentials obtained either from isolated monomer densities, or from densities resulting from a perturbation with the effective field of another monomer. © 2015 Wiley Periodicals, Inc.

  6. Use of Moeller-Plesset perturbation theory in molecular calculations: Spectroscopic constants of first row diatomic molecules

    International Nuclear Information System (INIS)

    Dunning, T.H. Jr.; Peterson, K.A.

    1998-01-01

    The convergence of Moeller - Plesset perturbation expansions (MP2 - MP4/MP5) for the spectroscopic constants of a selected set of diatomic molecules (BH, CH, HF, N 2 , CO, and F 2 ) has been investigated. It was found that the second-order perturbation contributions to the spectroscopic constants are strongly dependent on basis set, more so for HF and CO than for BH. The MP5 contributions for HF were essentially zero for the cc-pVDZ basis set, but increased significantly with basis set illustrating the difficulty of using small basis sets as benchmarks for correlated calculations. The convergence behavior of the exact Moeller - Plesset perturbation expansions were investigated using estimates of the complete basis set limits obtained using large correlation consistent basis sets. For BH and CH, the perturbation expansions of the spectroscopic constants converge monotonically toward the experimental values, while for HF, N 2 , CO, and F 2 , the expansions oscillate about the experimental values. The perturbation expansions are, in general, only slowly converging and, for HF, N 2 , CO, and F 2 , appear to be far from convergence at MP4. In fact, for HF, N 2 , and CO, the errors in the calculated spectroscopic constants for the MP4 method are larger than those for the MP2 method (the only exception is D e ). The current study, combined with other recent studies, raises serious doubts about the use of Moeller - Plesset perturbation theory to describe electron correlation effects in atomic and molecular calculations. copyright 1998 American Institute of Physics

  7. Relationship between the life environment of the atomic bomb survivors (Hibakusha) and their cardiovascular disorders. Chiefly regard to ECG findings

    Energy Technology Data Exchange (ETDEWEB)

    Tasaka, M; Saito, O; Miyaki, S; Watabu, A [Fukushima Medical Co-Operative Hospital (Japan)

    1978-04-01

    In order to observe clinically the effects of the atomic bomb on the human body (and on the environment), subjects were divided into group A (persons living in Hiroshima city more than 10 years after dropping of the atomic bomb) and group B (persons who changed their residence within 1 month). Group A was divided into two separate groups: group A/sub 1/ (persons living in segregated areas), and group A/sub 2/ (persons living in other areas). General examinations showed no abnormal findings. Incidence of abnormal ECG findings was higher in subjects living in segregated areas and was also higher in women than in men.

  8. Dispersion interactions between neighboring Bi atoms in (BiH3 )2 and Te(BiR2 )2.

    Science.gov (United States)

    Haack, Rebekka; Schulz, Stephan; Jansen, Georg

    2018-03-13

    Triggered by the observation of a short Bi⋯Bi distance and a BiTeBi bond angle of only 86.6° in the crystal structure of bis(diethylbismuthanyl)tellurane quantum chemical computations on interactions between neighboring Bi atoms in Te(BiR 2 ) 2 molecules (R = H, Me, Et) and in (BiH 3 ) 2 were undertaken. Bi⋯Bi distances atoms were found to significantly shorten upon inclusion of the d shells of the heavy metal atoms into the electron correlation treatment, and it was confirmed that interaction energies from spin component-scaled second-order Møller-Plesset theory (SCS-MP2) agree well with coupled-cluster singles and doubles theory including perturbative triples (CCSD(T)). Density functional theory-based symmetry-adapted perturbation theory (DFT-SAPT) was used to study the anisotropy of the interplay of dispersion attraction and steric repulsion between the Bi atoms. Finally, geometries and relative stabilities of syn-syn and syn-anti conformers of Te(BiR 2 ) 2 (R = H, Me, Et) and interconversion barriers between them were computed. © 2018 Wiley Periodicals, Inc. © 2018 Wiley Periodicals, Inc.

  9. Electronic relaxation dynamics of a metal atom deposited on argon cluster

    International Nuclear Information System (INIS)

    Awali, Slim

    2014-01-01

    This thesis is a study on the interaction between electronically excited atomic states and a non-reactive environment. We have theoretically and experimentally studied situations where a metal atom (Ba or K) is placed in a finite size environment (argon cluster). The presence of the medium affects the electronic levels of the atom. On the other side, the excitation of the atom induces a relaxation dynamics of the electronic energy through the deformation of the cluster. The experimental part of this work focuses on two aspects: the spectroscopy and the dynamics. In both cases a first laser electronically excites the metal atom and the second ionizes the excited system. The observable is the photoelectron spectrum recorded after photoionization and possibly information on the photoion which are also produced. This pump/probe technique, with also two lasers, provide the ultrafast dynamic when the lasers pulses used are of ultrashort (60 fs). The use of nanosecond lasers leads to resonance spectroscopic measurement, unresolved temporally, which give information on the position of the energy levels of the studied system. From a theoretical point-of-view, the excited states of M-Ar n were calculated at the ab initio level, using large core pseudo-potential to limit the active electrons of the metal to valence electrons. The study of alkali metals (potassium) is especially well adapted to this method since only one electron is active. The ab-initio calculation and a Monte-Carlo simulation where coupled to optimize the geometry of the KAr n (n = 1-10) cluster when K is in the ground state of the neutral and the ion, or excited in the 4p or 5s state. Calculations were also conducted in collaboration with B. Gervais (CIMAP, Caen) on KAr n clusters having several tens of argon atoms. Absorption spectra were also calculated. From an experimental point-of-view, we were able to characterize the excited states of potassium and barium perturbed by the clusters. In both cases a

  10. Optimal random perturbations for stochastic approximation using a simultaneous perturbation gradient approximation

    DEFF Research Database (Denmark)

    Sadegh, Payman; Spall, J. C.

    1998-01-01

    simultaneous perturbation approximation to the gradient based on loss function measurements. SPSA is based on picking a simultaneous perturbation (random) vector in a Monte Carlo fashion as part of generating the approximation to the gradient. This paper derives the optimal distribution for the Monte Carlo...

  11. The variational method in the atomic structure calcularion

    International Nuclear Information System (INIS)

    Tomimura, A.

    1970-01-01

    The importance and limitations of variational methods on the atomic structure calculations is set into relevance. Comparisons are made to the Perturbation Theory. Ilustrating it, the method is applied to the H - , H + and H + 2 simple atomic structure systems, and the results are analysed with basis on the study of the associated essential eigenvalue spectrum. Hydrogenic functions (where the screening constants are replaced by variational parameters) are combined to construct the wave function with proper symmetry for each one of the systems. This shows the existence of a bound state for H - , but no conclusions can be made for the others, where it may or may not be necessary to use more flexible wave functions, i.e., with greater number of terms and parameters. (author) [pt

  12. Disformal transformation of cosmological perturbations

    Directory of Open Access Journals (Sweden)

    Masato Minamitsuji

    2014-10-01

    Full Text Available We investigate the gauge-invariant cosmological perturbations in the gravity and matter frames in the general scalar–tensor theory where two frames are related by the disformal transformation. The gravity and matter frames are the extensions of the Einstein and Jordan frames in the scalar–tensor theory where two frames are related by the conformal transformation, respectively. First, it is shown that the curvature perturbation in the comoving gauge to the scalar field is disformally invariant as well as conformally invariant, which gives the predictions from the cosmological model where the scalar field is responsible both for inflation and cosmological perturbations. Second, in case that the disformally coupled matter sector also contributes to curvature perturbations, we derive the evolution equations of the curvature perturbation in the uniform matter energy density gauge from the energy (nonconservation in the matter sector, which are independent of the choice of the gravity sector. While in the matter frame the curvature perturbation in the uniform matter energy density gauge is conserved on superhorizon scales for the vanishing nonadiabatic pressure, in the gravity frame it is not conserved even if the nonadiabatic pressure vanishes. The formula relating two frames gives the amplitude of the curvature perturbation in the matter frame, once it is evaluated in the gravity frame.

  13. Disformal transformation of cosmological perturbations

    International Nuclear Information System (INIS)

    Minamitsuji, Masato

    2014-01-01

    We investigate the gauge-invariant cosmological perturbations in the gravity and matter frames in the general scalar–tensor theory where two frames are related by the disformal transformation. The gravity and matter frames are the extensions of the Einstein and Jordan frames in the scalar–tensor theory where two frames are related by the conformal transformation, respectively. First, it is shown that the curvature perturbation in the comoving gauge to the scalar field is disformally invariant as well as conformally invariant, which gives the predictions from the cosmological model where the scalar field is responsible both for inflation and cosmological perturbations. Second, in case that the disformally coupled matter sector also contributes to curvature perturbations, we derive the evolution equations of the curvature perturbation in the uniform matter energy density gauge from the energy (non)conservation in the matter sector, which are independent of the choice of the gravity sector. While in the matter frame the curvature perturbation in the uniform matter energy density gauge is conserved on superhorizon scales for the vanishing nonadiabatic pressure, in the gravity frame it is not conserved even if the nonadiabatic pressure vanishes. The formula relating two frames gives the amplitude of the curvature perturbation in the matter frame, once it is evaluated in the gravity frame

  14. Preheating curvaton perturbations

    International Nuclear Information System (INIS)

    Bastero-Gil, M.; Di Clemente, V.; King, S.F.

    2005-01-01

    We discuss the potentially important role played by preheating in certain variants of the curvaton mechanism in which isocurvature perturbations of a D-flat (and F-flat) direction become converted to curvature perturbations during reheating. We discover that parametric resonance of the isocurvature components amplifies the superhorizon fluctuations by a significant amount. As an example of these effects we develop a particle physics motivated model which involves hybrid inflation with the waterfall field N being responsible for generating the μ term, the right-handed neutrino mass scale, and the Peccei-Quinn symmetry breaking scale. The role of the curvaton field can be played either by usual Higgs field, or the lightest right-handed sneutrino. Our new results show that it is possible to achieve the correct curvature perturbations for initial values of the curvaton fields of order the weak scale. In this model we show that the prediction for the spectral index of the final curvature perturbation only depends on the mass of the curvaton during inflation, where consistency with current observational data requires the ratio of this mass to the Hubble constant to be 0.3

  15. Model analysis of molecular conformations in terms of weak interactions between non bonded atoms

    International Nuclear Information System (INIS)

    Lombardi, E.

    1988-01-01

    The aim of the present paper is to establish a reliable basis for the evaluation of stable conformations and rotational barriers for molecules, with possible applications to systems of biological interest. It is proceeded in two steps: first, the effect of chemical environment on orbitals of a given atom is studied for diatomic units, adopting a valence-bond approach and considering, as prototypes, the two simplest series of diatomic molecules with one valence electron each, i.e. the alkali diatomics and the alkali hydrides. In the model, the orbital of the hydrogen atom by a simple (''1S'') gaussian function, the valence orbital of an alkali atom by a function (r 2 -a 2 ) times a simple gaussian (''2S'' gaussian). Dissociation energies D e and equilibrium distances R e are calculated using a scanning procedure. Agreement with experiment is quantitative for the alkali diatomics. For alkali hydrides, good agreement is obtained only if validity of a rule β e R e =constant, for the two atoms separately, is postulated; β e is the characteristic parameter of a ''1S'' gaussian (hydrogen) or a ''2S'' gaussian (alkali atom) function. In a second step, the authors assume validity of the same rule in conformational analysis for any single bonded A-B molecule with A=C, O, N, P, Si, Ge and B=H, or a halogen atom. Gauge β e values for H, F and C are obtained by fitting experimental rotational barriers in C 2 H 6 , C 2 F 6 and C 3 H 8 . Stable conformation of, and barriers to rotation in, ethane-like rotors are determined, applying first-order exchange perturbation theory, in terms of two- and many-center exchange interactions in cluster of non-bonded atoms. Some 60 molecules are analyzed. Agreement with experiments is strikngly good except for a few systematic deviation. Reasons for such discrepancies are discussed

  16. Manganese-Oxygen Intermediates in O-O Bond Activation and Hydrogen-Atom Transfer Reactions.

    Science.gov (United States)

    Rice, Derek B; Massie, Allyssa A; Jackson, Timothy A

    2017-11-21

    Biological systems capitalize on the redox versatility of manganese to perform reactions involving dioxygen and its derivatives superoxide, hydrogen peroxide, and water. The reactions of manganese enzymes influence both human health and the global energy cycle. Important examples include the detoxification of reactive oxygen species by manganese superoxide dismutase, biosynthesis by manganese ribonucleotide reductase and manganese lipoxygenase, and water splitting by the oxygen-evolving complex of photosystem II. Although these enzymes perform very different reactions and employ structurally distinct active sites, manganese intermediates with peroxo, hydroxo, and oxo ligation are commonly proposed in catalytic mechanisms. These intermediates are also postulated in mechanisms of synthetic manganese oxidation catalysts, which are of interest due to the earth abundance of manganese. In this Account, we describe our recent efforts toward understanding O-O bond activation pathways of Mn III -peroxo adducts and hydrogen-atom transfer reactivity of Mn IV -oxo and Mn III -hydroxo complexes. In biological and synthetic catalysts, peroxomanganese intermediates are commonly proposed to decay by either Mn-O or O-O cleavage pathways, although it is often unclear how the local coordination environment influences the decay mechanism. To address this matter, we generated a variety of Mn III -peroxo adducts with varied ligand environments. Using parallel-mode EPR and Mn K-edge X-ray absorption techniques, the decay pathway of one Mn III -peroxo complex bearing a bulky macrocylic ligand was investigated. Unlike many Mn III -peroxo model complexes that decay to oxo-bridged-Mn III Mn IV dimers, decay of this Mn III -peroxo adduct yielded mononuclear Mn III -hydroxo and Mn IV -oxo products, potentially resulting from O-O bond activation of the Mn III -peroxo unit. These results highlight the role of ligand sterics in promoting the formation of mononuclear products and mark an important

  17. Contribution to coherent atom optics - Design of multiple wave devices

    International Nuclear Information System (INIS)

    Impens, F.

    2008-03-01

    The theoretical work presented in this manuscript addresses two complementary issues in coherent atom optics. The first part addresses the perspectives offered by coherent atomic sources through the design of two experiment involving the levitation of a cold atomic sample in a periodic series of light pulses, and for which coherent atomic clouds are particularly well-suited. These systems appear as multiple wave atom interferometers. A striking feature of these experiments is that a unique system performs both the sample trapping and interrogation. To obtain a transverse confinement, a novel atomic lens is proposed, relying on the interaction between an atomic wave with a spherical light wave. The sensitivity of the sample trapping towards the gravitational acceleration and towards the pulse frequencies is exploited to perform the desired measurement. These devices constitute atomic wave resonators in momentum space, which is a novel concept in atom optics. A second part develops new theoretical tools - most of which inspired from optics - well-suited to describe the propagation of coherent atomic sources. A phase-space approach of the propagation, relying on the evolution of moments, is developed and applied to study the low-energy dynamics of Bose-Einstein condensates. The ABCD method of propagation for atomic waves is extended beyond the linear regime to account perturbatively for mean-field atomic interactions in the atom-optical aberration-less approximation. A treatment of the atom laser extraction enabling one to describe aberrations in the atomic beam, developed in collaboration with the Atom Optics group at the Institute of Optics, is exposed. Last, a quality factor suitable for the characterization of diluted matter waves in a general propagation regime has been proposed. (author)

  18. Complex energies from real perturbation series for the LoSurdo-Stark effect in hydrogen by Borel-Pade approximants

    Energy Technology Data Exchange (ETDEWEB)

    Franceschini, V.; Grecchi, V.; Silverstone, H.J.

    1985-09-01

    The resonance energies for the hydrogen atom in an electric field, both the real and imaginary parts, have been calculated together from the real Rayleigh-Schroedinger perturbation series by Borel summation. Pade approximants were used to evaluate the Borel transform. The numerical results compare well with values obtained by the complex-coordinate variational method and by sequential use of Pade approximants.

  19. Singular perturbation of simple eigenvalues

    International Nuclear Information System (INIS)

    Greenlee, W.M.

    1976-01-01

    Two operator theoretic theorems which generalize those of asymptotic regular perturbation theory and which apply to singular perturbation problems are proved. Application of these theorems to concrete problems is involved, but the perturbation expansions for eigenvalues and eigenvectors are developed in terms of solutions of linear operator equations. The method of correctors, as well as traditional boundary layer techniques, can be used to apply these theorems. The current formulation should be applicable to highly singular ''hard core'' potential perturbations of the radial equation of quantum mechanics. The theorems are applied to a comparatively simple model problem whose analysis is basic to that of the quantum mechanical problem

  20. Scalar cosmological perturbations

    International Nuclear Information System (INIS)

    Uggla, Claes; Wainwright, John

    2012-01-01

    Scalar perturbations of Friedmann-Lemaitre cosmologies can be analyzed in a variety of ways using Einstein's field equations, the Ricci and Bianchi identities, or the conservation equations for the stress-energy tensor, and possibly introducing a timelike reference congruence. The common ground is the use of gauge invariants derived from the metric tensor, the stress-energy tensor, or from vectors associated with a reference congruence, as basic variables. Although there is a complication in that there is no unique choice of gauge invariants, we will show that this can be used to advantage. With this in mind our first goal is to present an efficient way of constructing dimensionless gauge invariants associated with the tensors that are involved, and of determining their inter-relationships. Our second goal is to give a unified treatment of the various ways of writing the governing equations in dimensionless form using gauge-invariant variables, showing how simplicity can be achieved by a suitable choice of variables and normalization factors. Our third goal is to elucidate the connection between the metric-based approach and the so-called 1 + 3 gauge-invariant approach to cosmological perturbations. We restrict our considerations to linear perturbations, but our intent is to set the stage for the extension to second-order perturbations. (paper)

  1. Divergent Perturbation Series

    International Nuclear Information System (INIS)

    Suslov, I.M.

    2005-01-01

    Various perturbation series are factorially divergent. The behavior of their high-order terms can be determined by Lipatov's method, which involves the use of instanton configurations of appropriate functional integrals. When the Lipatov asymptotic form is known and several lowest order terms of the perturbation series are found by direct calculation of diagrams, one can gain insight into the behavior of the remaining terms of the series, which can be resummed to solve various strong-coupling problems in a certain approximation. This approach is demonstrated by determining the Gell-Mann-Low functions in φ 4 theory, QED, and QCD with arbitrary coupling constants. An overview of the mathematical theory of divergent series is presented, and interpretation of perturbation series is discussed. Explicit derivations of the Lipatov asymptotic form are presented for some basic problems in theoretical physics. A solution is proposed to the problem of renormalon contributions, which hampered progress in this field in the late 1970s. Practical perturbation-series summation schemes are described both for a coupling constant of order unity and in the strong-coupling limit. An interpretation of the Borel integral is given for 'non-Borel-summable' series. Higher order corrections to the Lipatov asymptotic form are discussed

  2. Atomic many-body theory of giant resonances

    International Nuclear Information System (INIS)

    Kelly, H.P.; Altun, Z.

    1987-01-01

    In this paper the use of many-body perturbation theory (MBPT) to include effects of electron correlations is discussed. The various physical processes contributing to the broad photoionization cross sections of the rare gases are studied in terms of the relevant many-body diagrams. Use of the random phase approximation with exchange (RPAE) is discussed by Amusia and Cherepkov. Calculations using the relativistic RPAE are reviewed by Johnson. In addition, many-body perturbation theory (MBPT) is used to study resonances which are due to excitation of bound states degenerate with the continuum. Very interesting giant resonance structure can occur when an inner shell electron is excited into a vacant open-shell orbital of the same principal quantum number. A particular example which is studied is the neutral manganese atom 3p 6 3d 5 4s 2 ( 6 S), in which the spins of the five 3d electrons are aligned. A very large resonance occurs in the 3d and 4s cross sections due to 3p → 3d excitation near 51 eV, and calculations of this resonance by MBPT and RPAE are discussed. A second example of this type of resonance occurs in open-shell rare-earth atoms with configurations 4d 10 4f/sup n/5s 2 5p 6 s 2 . Calculations and experimental results will be discussed for the case of europium with a half-filled sub-shell 4f 7 . 71 references, 15 figures

  3. Large-order perturbation theory

    International Nuclear Information System (INIS)

    Wu, T.T.

    1982-01-01

    The original motivation for studying the asymptotic behavior of the coefficients of perturbation series came from quantum field theory. An overview is given of some of the attempts to understand quantum field theory beyond finite-order perturbation series. At least is the case of the Thirring model and probably in general, the full content of a relativistic quantum field theory cannot be recovered from its perturbation series. This difficulty, however, does not occur in quantum mechanics, and the anharmonic oscillator is used to illustrate the methods used in large-order perturbation theory. Two completely different methods are discussed, the first one using the WKB approximation, and a second one involving the statistical analysis of Feynman diagrams. The first one is well developed and gives detailed information about the desired asymptotic behavior, while the second one is still in its infancy and gives instead information about the distribution of vertices of the Feynman diagrams

  4. Lattice dynamics calculations based on density-functional perturbation theory in real space

    Science.gov (United States)

    Shang, Honghui; Carbogno, Christian; Rinke, Patrick; Scheffler, Matthias

    2017-06-01

    A real-space formalism for density-functional perturbation theory (DFPT) is derived and applied for the computation of harmonic vibrational properties in molecules and solids. The practical implementation using numeric atom-centered orbitals as basis functions is demonstrated exemplarily for the all-electron Fritz Haber Institute ab initio molecular simulations (FHI-aims) package. The convergence of the calculations with respect to numerical parameters is carefully investigated and a systematic comparison with finite-difference approaches is performed both for finite (molecules) and extended (periodic) systems. Finally, the scaling tests and scalability tests on massively parallel computer systems demonstrate the computational efficiency.

  5. Perturbation theory in light-cone gauge

    International Nuclear Information System (INIS)

    Vianello, Eliana

    2000-01-01

    Perturbation calculations are presented for the light-cone gauge Schwinger model. Eigenstates can be calculated perturbatively but the perturbation theory is nonstandard. We hope to extend the work to QCD 2 to resolve some outstanding issues in those theories

  6. On dark energy isocurvature perturbation

    International Nuclear Information System (INIS)

    Liu, Jie; Zhang, Xinmin; Li, Mingzhe

    2011-01-01

    Determining the equation of state of dark energy with astronomical observations is crucially important to understand the nature of dark energy. In performing a likelihood analysis of the data, especially of the cosmic microwave background and large scale structure data the dark energy perturbations have to be taken into account both for theoretical consistency and for numerical accuracy. Usually, one assumes in the global fitting analysis that the dark energy perturbations are adiabatic. In this paper, we study the dark energy isocurvature perturbation analytically and discuss its implications for the cosmic microwave background radiation and large scale structure. Furthermore, with the current astronomical observational data and by employing Markov Chain Monte Carlo method, we perform a global analysis of cosmological parameters assuming general initial conditions for the dark energy perturbations. The results show that the dark energy isocurvature perturbations are very weakly constrained and that purely adiabatic initial conditions are consistent with the data

  7. Determination of {pi}{pi} scattering lengths from measurement of {pi}{sup +{pi}-} atom lifetime

    Energy Technology Data Exchange (ETDEWEB)

    Adeva, B. [Santiago de Compostela University (Spain); Afanasyev, L. [JINR Dubna (Russian Federation); Benayoun, M. [LPNHE des Universites Paris VI/VII, IN2P3-CNRS (France); Benelli, A. [Zurich University (Switzerland); Berka, Z. [Czech Technical University in Prague, Prague (Czech Republic); Brekhovskikh, V. [IHEP Protvino (Russian Federation); Caragheorgheopol, G. [IFIN-HH, National Institute for Physics and Nuclear Engineering, Bucharest (Romania); Cechak, T. [Czech Technical University in Prague, Prague (Czech Republic); Chiba, M. [Tokyo Metropolitan University (Japan); Chliapnikov, P.V. [IHEP Protvino (Russian Federation); Ciocarlan, C.; Constantinescu, S. [IFIN-HH, National Institute for Physics and Nuclear Engineering, Bucharest (Romania); Costantini, S. [Basel University (Switzerland); Curceanu, C. [IFIN-HH, National Institute for Physics and Nuclear Engineering, Bucharest (Romania); Doskarova, P. [Czech Technical University in Prague, Prague (Czech Republic); Dreossi, D. [INFN, Sezione di Trieste and Trieste University, Trieste (Italy); Drijard, D., E-mail: Daniel.Drijard@cern.ch [CERN, Geneva (Switzerland); Dudarev, A. [JINR Dubna (Russian Federation); Ferro-Luzzi, M. [CERN, Geneva (Switzerland); Fungueirino Pazos, J.L. [Santiago de Compostela University (Spain)

    2011-10-05

    The DIRAC experiment at CERN has achieved a sizeable production of {pi}{sup +{pi}-} atoms and has significantly improved the precision on its lifetime determination. From a sample of 21 227 atomic pairs, a 4% measurement of the S-wave {pi}{pi} scattering length difference |a{sub 0}-a{sub 2}|=(0.2533{sub -0.0078}{sup +0.0080}|{sub stat}{sup +0.0078}{sub -0.0073}|{sub syst})M{sub {pi}}{sup +-1} has been attained, providing an important test of Chiral Perturbation Theory.

  8. Probing the quantum analog of chaos with atoms in external fields

    Energy Technology Data Exchange (ETDEWEB)

    Gay, J C; Delande, D

    1987-01-01

    For a few years, considerable interest arose in the problem of the quantum analog of classical chaos for hamiltonian system. Among several other simple atomic physics systems, the atom in a magnetic field turns out to be the most promising prototype for tackling such questions. The classical and quantum motions are now well understood. The experimental study is possible in high Rydberg states of atoms. Throughout the study of some aspects of this problem, the authors demonstrate that the quantum analog of chaos presents a two-fold aspect. While the spectral properties at short range are conveniently described by Random matrix theories, a long-range order still exist in the quantum dynamics which indicates the existence of scars of symmetries. This in turn is quite clearly exhibited in the experimental data on Rydberg atoms. Finally the authors indicate how to generalize the notions to any situation involving the Coulomb field and perturbing potentials. 21 refs.; 8 figs.

  9. Probability of K atomic shell ionization by heavy particles impact, in functions of the scattering angle

    International Nuclear Information System (INIS)

    Oliveira, P.M.C. de.

    1976-12-01

    A method of calculation of the K atomic shell ionization probability by heavy particles impact, in the semi-classical approximation is presented. In this approximation, the projectile has a classical trajectory. The potential energy due to the projectile is taken as perturbation of the Hamiltonian of the neutral atom. We use scaled Thomas-Fermi wave function for the atomic electrons. The method is valid for intermediate atomic number elements and particle energies of some MeV. Probabilities are calculated for the case of Ag (Z = 47) and protons of 1 and 2 MeV. Results are given as function of scattering angle, and agree well known experimental data and also improve older calculations. (Author) [pt

  10. Perturbation Theory of Embedded Eigenvalues

    DEFF Research Database (Denmark)

    Engelmann, Matthias

    project gives a general and systematic approach to analytic perturbation theory of embedded eigenvalues. The spectral deformation technique originally developed in the theory of dilation analytic potentials in the context of Schrödinger operators is systematized by the use of Mourre theory. The group...... of dilations is thereby replaced by the unitary group generated y the conjugate operator. This then allows to treat the perturbation problem with the usual Kato theory.......We study problems connected to perturbation theory of embedded eigenvalues in two different setups. The first part deals with second order perturbation theory of mass shells in massive translation invariant Nelson type models. To this end an expansion of the eigenvalues w.r.t. fiber parameter up...

  11. Spontaneous emission by moving atoms

    International Nuclear Information System (INIS)

    Meystre, P.; Wilkens, M.

    1994-01-01

    It is well known that spontaneous emission is not an intrinsic atomic property, but rather results from the coupling of the atom to the vacuum modes of the electromagnetic field. As such, it can be modified by tailoring the electromagnetic environment into which the atom can radiate. This was already realized by Purcell, who noted that the spontaneous emission rate can be enhanced if the atom placed inside a cavity is resonant with one of the cavity is resonant with one of the cavity modes, and by Kleppner, who discussed the opposite case of inhibited spontaneous emission. It has also been recognized that spontaneous emission need not be an irreversible process. Indeed, a system consisting of a single atom coupled to a single mode of the electromagnetic field undergoes a periodic exchange of excitation between the atom and the field. This periodic exchange remains dominant as long as the strength of the coupling between the atom and a cavity mode is itself dominant. 23 refs., 6 figs

  12. Femtosecond photoionization of atoms under noise

    International Nuclear Information System (INIS)

    Singh, Kamal P.; Rost, Jan M.

    2007-01-01

    We investigate the effect of incoherent perturbations on atomic photoionization due to a femtosecond midinfrared laser pulse by solving the time-dependent stochastic Schroedinger equation. For a weak laser pulse which causes almost no ionization, an addition of a Gaussian white noise to the pulse leads to a significantly enhanced ionization probability. Tuning the noise level, a stochastic resonancelike curve is observed showing the existence of an optimum noise for a given laser pulse. Besides studying the sensitivity of the obtained enhancement curve on the pulse parameters, such as the pulse duration and peak amplitude, we suggest that experimentally realizable broadband chaotic light can also be used instead of the white noise to observe similar features. The underlying enhancement mechanism is analyzed in the frequency domain by computing a frequency-resolved atomic gain profile, as well as in the time domain by controlling the relative delay between the action of the laser pulse and noise

  13. Chiral perturbation theory

    International Nuclear Information System (INIS)

    Ecker, G.

    1996-06-01

    After a general introduction to the structure of effective field theories, the main ingredients of chiral perturbation theory are reviewed. Applications include the light quark mass ratios and pion-pion scattering to two-loop accuracy. In the pion-nucleon system, the linear σ model is contrasted with chiral perturbation theory. The heavy-nucleon expansion is used to construct the effective pion-nucleon Lagrangian to third order in the low-energy expansion, with applications to nucleon Compton scattering. (author)

  14. The multi-reference retaining the excitation degree perturbation theory: A size-consistent, unitary invariant, and rapidly convergent wavefunction based ab initio approach

    International Nuclear Information System (INIS)

    Fink, Reinhold F.

    2009-01-01

    The retaining the excitation degree (RE) partitioning [R.F. Fink, Chem. Phys. Lett. 428 (2006) 461(20 September)] is reformulated and applied to multi-reference cases with complete active space (CAS) reference wave functions. The generalised van Vleck perturbation theory is employed to set up the perturbation equations. It is demonstrated that this leads to a consistent and well defined theory which fulfils all important criteria of a generally applicable ab initio method: The theory is proven numerically and analytically to be size-consistent and invariant with respect to unitary orbital transformations within the inactive, active and virtual orbital spaces. In contrast to most previously proposed multi-reference perturbation theories the necessary condition for a proper perturbation theory to fulfil the zeroth order perturbation equation is exactly satisfied with the RE partitioning itself without additional projectors on configurational spaces. The theory is applied to several excited states of the benchmark systems CH 2 , SiH 2 , and NH 2 , as well as to the lowest states of the carbon, nitrogen and oxygen atoms. In all cases comparisons are made with full configuration interaction results. The multi-reference (MR)-RE method is shown to provide very rapidly converging perturbation series. Energy differences between states of similar configurations converge even faster

  15. Dynamics of a single ion in a perturbed Penning trap: Octupolar perturbation

    International Nuclear Information System (INIS)

    Lara, Martin; Salas, J. Pablo

    2004-01-01

    Imperfections in the design or implementation of Penning traps may give rise to electrostatic perturbations that introduce nonlinearities in the dynamics. In this paper we investigate, from the point of view of classical mechanics, the dynamics of a single ion trapped in a Penning trap perturbed by an octupolar perturbation. Because of the axial symmetry of the problem, the system has two degrees of freedom. Hence, this model is ideal to be managed by numerical techniques like continuation of families of periodic orbits and Poincare surfaces of section. We find that, through the variation of the two parameters controlling the dynamics, several periodic orbits emanate from two fundamental periodic orbits. This process produces important changes (bifurcations) in the phase space structure leading to chaotic behavior

  16. Drifts and Environmental Disturbances in Atomic Clock Subsystems: Quantifying Local Oscillator, Control Loop, and Ion Resonance Interactions.

    Science.gov (United States)

    Enzer, Daphna G; Diener, William A; Murphy, David W; Rao, Shanti R; Tjoelker, Robert L

    2017-03-01

    Linear ion trap frequency standards are among the most stable continuously operating frequency references and clocks. Depending on the application, they have been operated with a variety of local oscillators (LOs), including quartz ultrastable oscillators, hydrogen-masers, and cryogenic sapphire oscillators. The short-, intermediate-, and long-term stability of the frequency output is a complicated function of the fundamental performances, the time dependence of environmental disturbances, the atomic interrogation algorithm, the implemented control loop, and the environmental sensitivity of the LO and the atomic system components. For applications that require moving these references out of controlled lab spaces and into less stable environments, such as fieldwork or spaceflight, a deeper understanding is needed of how disturbances at different timescales impact the various subsystems of the clock and ultimately the output stability. In this paper, we analyze which perturbations have an impact and to what degree. We also report on a computational model of a control loop, which keeps the microwave source locked to the ion resonance. This model is shown to agree with laboratory measurements of how well the feedback removes various disturbances and also with a useful analytic approach we developed for predicting these impacts.

  17. Status of perturbative QCD

    International Nuclear Information System (INIS)

    Collins, J.C.

    1985-01-01

    Progress in quantum chromodynamics in the past year is reviewed in these specific areas: proof of factorization for hadron-hadron collisions, fast calculation of higher order graphs, perturbative Monte Carlo calculations for hadron-hadron scattering, applicability of perturbative methods to heavy quark production, and understanding of the small-x problem. 22 refs

  18. Influence of Lumbar Muscle Fatigue on Trunk Adaptations during Sudden External Perturbations

    Science.gov (United States)

    Abboud, Jacques; Nougarou, François; Lardon, Arnaud; Dugas, Claude; Descarreaux, Martin

    2016-01-01

    Introduction: When the spine is subjected to perturbations, neuromuscular responses such as reflex muscle contractions contribute to the overall balance control and spinal stabilization mechanisms. These responses are influenced by muscle fatigue, which has been shown to trigger changes in muscle recruitment patterns. Neuromuscular adaptations, e.g., attenuation of reflex activation and/or postural oscillations following repeated unexpected external perturbations, have also been described. However, the characterization of these adaptations still remains unclear. Using high-density electromyography (EMG) may help understand how the nervous system chooses to deal with an unknown perturbation in different physiological and/or mechanical perturbation environments. Aim: To characterize trunk neuromuscular adaptations following repeated sudden external perturbations after a back muscle fatigue task using high-density EMG. Methods: Twenty-five healthy participants experienced a series of 15 sudden external perturbations before and after back muscle fatigue. Erector spinae muscle activity was recorded using high-density EMG. Trunk kinematics during perturbation trials were collected using a 3-D motion analysis system. A two-way repeated measure ANOVA was conducted to assess: (1) the adaptation effect across trials; (2) the fatigue effect; and (3) the interaction effect (fatigue × adaptation) for the baseline activity, the reflex latency, the reflex peak and trunk kinematic variables (flexion angle, velocity and time to peak velocity). Muscle activity spatial distribution before and following the fatigue task was also compared using t-tests for dependent samples. Results: An attenuation of muscle reflex peak was observed across perturbation trials before the fatigue task, but not after. The spatial distribution of muscle activity was significantly higher before the fatigue task compared to post-fatigue trials. Baseline activity showed a trend to higher values after muscle

  19. Influence of lumbar muscle fatigue on trunk adaptations during sudden external perturbations

    Directory of Open Access Journals (Sweden)

    Jacques Abboud

    2016-11-01

    Full Text Available IntroductionWhen the spine is subjected to perturbations, neuromuscular responses such as reflex muscle contractions contribute to the overall balance control and spinal stabilization mechanisms. These responses are influenced by muscle fatigue, which has been shown to trigger changes in muscle recruitment patterns. Neuromuscular adaptations, e.g. attenuation of reflex activation and/or postural oscillations following repeated unexpected external perturbations, have also been described. However, the characterization of these adaptations still remains unclear. Using high-density electromyography (EMG may help understand how the nervous system chooses to deal with an unknown perturbation in different physiological and/or mechanical perturbation environments. AimTo characterize trunk neuromuscular adaptations following repeated sudden external perturbations after a back muscle fatigue task using high-density EMG.MethodsTwenty-five healthy participants experienced a series of 15 sudden external perturbations before and after back muscle fatigue. Erector spinae muscle activity was recorded using high-density EMG. Trunk kinematics during perturbation trials were collected using a 3-D motion analysis system. A two-way repeated measure ANOVA was conducted to assess 1 the adaptation effect across trials, 2 the fatigue effect, and 3 the interaction effect (fatigue x adaptation for the baseline activity, the reflex latency, the reflex peak and trunk kinematic variables (flexion angle, velocity and time to peak velocity. Muscle activity spatial distribution before and following the fatigue task was also compared using t-tests for dependent samples. ResultsAn attenuation of muscle reflex peak was observed across perturbation trials before the fatigue task, but not after. The spatial distribution of muscle activity was significantly higher before the fatigue task compared to post-fatigue trials. Baseline activity showed a trend to higher values after muscle

  20. Configuration-interaction relativistic-many-body-perturbation-theory calculations of photoionization cross sections from quasicontinuum oscillator strengths

    International Nuclear Information System (INIS)

    Savukov, I. M.; Filin, D. V.

    2014-01-01

    Many applications are in need of accurate photoionization cross sections, especially in the case of complex atoms. Configuration-interaction relativistic-many-body-perturbation theory (CI-RMBPT) has been successful in predicting atomic energies, matrix elements between discrete states, and other properties, which is quite promising, but it has not been applied to photoionization problems owing to extra complications arising from continuum states. In this paper a method that will allow the conversion of discrete CI-(R)MPBT oscillator strengths (OS) to photoionization cross sections with minimal modifications of the codes is introduced and CI-RMBPT cross sections of Ne, Ar, Kr, and Xe are calculated. A consistent agreement with experiment is found. RMBPT corrections are particularly significant for Ar, Kr, and Xe and improve agreement with experimental results compared to the particle-hole CI method. As a result, the demonstrated conversion method can be applied to CI-RMBPT photoionization calculations for a large number of multivalence atoms and ions

  1. FRW Cosmological Perturbations in Massive Bigravity

    CERN Document Server

    Comelli, D; Pilo, L

    2014-01-01

    Cosmological perturbations of FRW solutions in ghost free massive bigravity, including also a second matter sector, are studied in detail. At early time, we find that sub horizon exponential instabilities are unavoidable and they lead to a premature departure from the perturbative regime of cosmological perturbations.

  2. Chaotic inflation with metric and matter perturbations

    International Nuclear Information System (INIS)

    Feldman, H.A.; Brandenberger, R.H.

    1989-01-01

    A perturbative scheme to analyze the evolution of both metric and scalar field perturbations in an expanding universe is developed. The scheme is applied to study chaotic inflation with initial metric and scalar field perturbations present. It is shown that initial gravitational perturbations with wavelength smaller than the Hubble radius rapidly decay. The metric simultaneously picks up small perturbations determined by the matter inhomogeneities. Both are frozen in once the wavelength exceeds the Hubble radius. (orig.)

  3. Propensity rules for orientation in singly-charged ion-atom collisions

    International Nuclear Information System (INIS)

    Nielsen, S.E.; Dubois, A.; Hansen, J.P.

    1990-01-01

    Orientation effects for electron capture and excitation in singly-charged ion-atom collisions are analysed using the atomic basis impact parameter method with full inclusion of electron translational factors. We find that the orientation preferences previously predicted for excitation in terms of propensity rules may still be observed when capture is present in ion-atom collisions. Furthermore, in spite of intricate behaviour of the direct capture couplings during the collision, we draw some parallel conclusions for the orientation of the capture states. We illustrate these perturbative predictions by close-coupling calculations for H + -Na(3s) collisions where clear propensity for orientation of the H(2p) capture state is demonstrated in impact parameter and velocity dependences. Finally we predict pronounced orientation effects for H(2s) and H(2p) capture in collisions of H + with initially oriented Na(3p) states. (author)

  4. Influence of the atomic industry branches' on the Kazakhstan environment status

    International Nuclear Information System (INIS)

    Ibraev, R.; Tugel'baev, S.S.

    2001-01-01

    In the paper an the atomic industry branches' influence on the Kazakhstan environment status is considered. It is noted that Kazakhstan in only country in the world where nuclear strategic programs (USSR and CIS) were carried out without control, any limits, wide-scaly and in a full cycle. This is mine, reprocessing of strategic ores, preparation (partial), testing and use of nuclear and thermonuclear warheads in both military and peaceful aims, radioactive wastes disposal. Due to non-observance by industry branches of the principal normative requirements of radiation safety (were in existence and present ones) in the republic there is not territorial delimitation of the special objects with control area that caused negative influence of these objected were exposed vast regions both out-side and inter-sites area. So Kazakhstan nature scale-wide contamination is the existing reality. It is stressed, that mining and reprocessing uranium enterprises have negative contribution in the bio-geo-media. In this case it is especially hazard the underground sulfuric leaching technology is applying in the uranium mine industry. The technology is much cheaper but it ecologically in dozen times danger in comparison with applied in other countries the carbonate leaching method

  5. Thermal effects on the stability of excited atoms in cavities

    International Nuclear Information System (INIS)

    Khanna, F. C.; Malbouisson, A. P. C.; Malbouisson, J. M. C.; Santana, A. E.

    2010-01-01

    An atom, coupled linearly to an environment, is considered in a harmonic approximation in thermal equilibrium inside a cavity. The environment is modeled by an infinite set of harmonic oscillators. We employ the notion of dressed states to investigate the time evolution of the atom initially in the first excited level. In a very large cavity (free space) for a long elapsed time, the atom decays and the value of its occupation number is the physically expected one at a given temperature. For a small cavity the excited atom never completely decays and the stability rate depends on temperature.

  6. Theoretical femtosecond physics atoms and molecules in strong laser fields

    CERN Document Server

    Grossmann, Frank

    2018-01-01

    This textbook extends from the basics of femtosecond physics all the way to some of the latest developments in the field. In this updated edition, the chapter on laser-driven atoms is augmented by the discussion of two-electron atoms interacting with strong and short laser pulses, as well as by a review of ATI rings and low energy structures in photo-electron spectra. In the chapter on laser-driven molecules a discussion of 2D infrared spectroscopy is incorporated. Theoretical investigations of atoms and molecules interacting with pulsed lasers up to atomic field strengths on the order of 10^16 W/cm² are leading to an understanding of many challenging experimental discoveries. The presentation starts with a brief introduction to pulsed laser physics. The basis for the non-perturbative treatment of laser-matter interaction in the book is the time-dependent Schrödinger equation. Its analytical as well as numerical solution are laid out in some detail. The light field is treated classically and different possi...

  7. Coulomb states in atoms and solids

    International Nuclear Information System (INIS)

    Ortalano, D.M.

    1988-05-01

    In this dissertation, an empirical quantum defect approach to describe the valence excitons of the rare gas solids is developed. These Coulomb states are of s-symmetry and form a hydrogen-like series which converges to the bottom of the lowest conduction band. A non-zero quantum defect is found for all of the excitons of neon, argon and xenon. For these systems, then, there exists, in addition to the screened Coulombic component, a non-Coulombic component to the total exciton binding energy. The Wannier formalism is, therefore, inappropriate for the excitons of Ne, Ar and Xe. From the sign of the quantum defect, the non-Coulombic potential is repulsive for Ne and Ar, attractive for Xe, and nearly zero for Kr. This is opposite to that for the Rydberg states of the corresponding rare gas atoms, where the non-Coulombic potential between the electron and the cation is attractive for all of the atoms. The excitons then, are not simply perturbed Rydberg states of the corresponding rare gas atoms (i.e., the excitons do not possess atomic parentage). Interatomic term value/band gap energy correlations and reduced term value/reduced band gap correlations were performed. These correlations were exploited to provide further evidence against both the Wannier formalism and the atomic parentage view point. From these correlations, it was also discovered that the non-Coulombic potential varies smoothly across the valence isoelectronic series of solids, and that it becomes more attractive (or less repulsive) in going from neon to xenon. In order to address the atomic parentage controversy, it was necessary to compare the excitons to the low-n Rydberg states of the rare gas atoms. A review of the quantum defect description of the atomic Rydberg states is, therefore, presented. Also, Rydberg term value/ionization energy correlations are discussed and compared with the analogous exciton correlations. 7 refs., 10 figs., 5 tabs

  8. Cosmological perturbations in antigravity

    Science.gov (United States)

    Oltean, Marius; Brandenberger, Robert

    2014-10-01

    We compute the evolution of cosmological perturbations in a recently proposed Weyl-symmetric theory of two scalar fields with oppositely signed conformal couplings to Einstein gravity. It is motivated from the minimal conformal extension of the standard model, such that one of these scalar fields is the Higgs while the other is a new particle, the dilaton, introduced to make the Higgs mass conformally symmetric. At the background level, the theory admits novel geodesically complete cyclic cosmological solutions characterized by a brief period of repulsive gravity, or "antigravity," during each successive transition from a big crunch to a big bang. For simplicity, we consider scalar perturbations in the absence of anisotropies, with potential set to zero and without any radiation. We show that despite the necessarily wrong-signed kinetic term of the dilaton in the full action, these perturbations are neither ghostlike nor tachyonic in the limit of strongly repulsive gravity. On this basis, we argue—pending a future analysis of vector and tensor perturbations—that, with respect to perturbative stability, the cosmological solutions of this theory are viable.

  9. Gauge-invariant cosmological density perturbations

    International Nuclear Information System (INIS)

    Sasaki, Misao.

    1986-06-01

    Gauge-invariant formulation of cosmological density perturbation theory is reviewed with special emphasis on its geometrical aspects. Then the gauge-invariant measure of the magnitude of a given perturbation is presented. (author)

  10. Twisting perturbed parafermions

    Directory of Open Access Journals (Sweden)

    A.V. Belitsky

    2017-07-01

    Full Text Available The near-collinear expansion of scattering amplitudes in maximally supersymmetric Yang–Mills theory at strong coupling is governed by the dynamics of stings propagating on the five sphere. The pentagon transitions in the operator product expansion which systematize the series get reformulated in terms of matrix elements of branch-point twist operators in the two-dimensional O(6 nonlinear sigma model. The facts that the latter is an asymptotically free field theory and that there exists no local realization of twist fields prevents one from explicit calculation of their scaling dimensions and operator product expansion coefficients. This complication is bypassed making use of the equivalence of the sigma model to the infinite-level limit of WZNW models perturbed by current–current interactions, such that one can use conformal symmetry and conformal perturbation theory for systematic calculations. Presently, to set up the formalism, we consider the O(3 sigma model which is reformulated as perturbed parafermions.

  11. Perturbative analysis of the influence of π+π- strong interaction on the relation between A2π creation probabilities in ns-states

    International Nuclear Information System (INIS)

    Voskresenskaya, O.O.

    2002-01-01

    It is shown that the relations between probabilities of A 2π -atoms creation in ns-states, derived with neglecting of the strong interaction between pions, hold practically unchanged if the strong interaction is taken into account in the first order of the perturbation theory. The formulation of Deser equation for the energy levels shift of the hadronic atoms (HA) is given in terms of the effective range of the strong interaction and relative correction to the Coulomb wave function of HA at origin, caused by the strong interaction. (author)

  12. Multiplicative perturbations of local C-semigroups

    Indian Academy of Sciences (India)

    In this paper, we establish some left and right multiplicative perturbation theorems concerning local -semigroups when the generator of a perturbed local -semigroup S ( ⋅ ) may not be densely defined and the perturbation operator is a bounded linear operator from D ( A ) ¯ into () such that = on D ( A ) ¯ ...

  13. Multiplicative perturbations of local C-semigroups

    Indian Academy of Sciences (India)

    2016-08-26

    Aug 26, 2016 ... In this paper, we establish some left and right multiplicative perturbation theorems concerning local -semigroups when the generator of a perturbed local -semigroup S(⋅) may not be densely defined and the perturbation operator is a bounded linear operator from ¯D(A) into () such that = ...

  14. Critique of atomic physics instability mechanisms: Ionization-driven and radiative microinstabilities in the tokamak edge plasma

    International Nuclear Information System (INIS)

    Ross, D.W.

    1994-01-01

    The theory of atomic-process driven microinstabilities in the tokamak edge plasma is reexamined. It is found that these instabilities, as they are usually presented, do not exist. This assertion applies both to ionization-driven modes and to radiative condensation, or thermal-driven modes. The problem is that there exists no separation of time scales between the approach to equilibrium and the growth rate of the purported instabilities. Therefore, to describe the perturbation of an inhomogeneous plasma, it is essential either to establish an equilibrium that includes both perpendicular transport and the proposed source, or, alternatively, to follow the background evolution simultaneously with the growth of the modes. Neither has been done in theoretical or numerical studies of microinstabilities driven by atomic effects in tokamaks. Very near the density limit, macroscopic modes may be unstable, leading to marfes or disruptions, but perturbations of the equilibrium transport fluxes, when taken into account, are sufficient to stabilize the microscopic modes. If the equilibrium fluxes are not included a priori, the ordering breakdown persists into the nonlinear regime. Since the atomic driving terms are the same as in the linear limit, radial decorrelation lengths would have to approach background scale lengths to yield transport of significant magnitude. Under ordinary tokamak conditions, therefore, atomic processes are unlikely to provide an important driving mechanism for the microturbulence that is presumed to cause anomalous transport

  15. Perturbative QCD (1/3)

    CERN Multimedia

    CERN. Geneva

    2013-01-01

    Perturbative QCD is the general theoretical framework for describing hard scattering processes yielding multiparticle production at hadron colliders. In these lectures, we shall introduce fundamental features of perturbative QCD and describe its application to several high energy collider processes, including jet production in electron-positron annihilation, deep inelastic scattering, Higgs boson and gauge boson production at the LHC.

  16. Geometric Hamiltonian structures and perturbation theory

    International Nuclear Information System (INIS)

    Omohundro, S.

    1984-08-01

    We have been engaged in a program of investigating the Hamiltonian structure of the various perturbation theories used in practice. We describe the geometry of a Hamiltonian structure for non-singular perturbation theory applied to Hamiltonian systems on symplectic manifolds and the connection with singular perturbation techniques based on the method of averaging

  17. Causality problem in atomic physics

    Energy Technology Data Exchange (ETDEWEB)

    Bor, N

    1985-10-01

    The casuality problem in atomic physics is analysed by Bohr in a wide methodological context. The first part of the paper is a short historical essay picturing the entry of statistical concepts into physics. Bohr underlines a close relationship between an unavoidably probabilitic nature of the quantum theory and quantum postulates introducing the alien-to-classical-physics concepts of integrity, individuality of atomic processes. In the second central part of the paper Bohr discusses the casuality problems in atomic physics in detail and shows that their solution requires a careful analysis of the observation process. Proceeding from the program methodological requirement to describe the measuring instrumentation operation and observation results in the language of classical physics, he explains that the statistical character of the uncertainty relationships expresses a substantial specifically quantum constraint to the applicifically of classical conceptions analyses of microphenomena. Then Bohr refines in principle the notion ''phenomenon'', as one of the central notions among those he employed for the formulation of his complementarity principle. According to bohr a phenomenon should be under-stood as an unambiguously present situation of a completed experiment. Therefore, it is erroneous to speak of the phenomenon perturbation by the observation. The final part of the article deals with the discussion of methodological parallels of the quantum theory and relativity theory.

  18. Atomic and molecular spectroscopy basic concepts and applications

    CERN Document Server

    Kakkar, Rita

    2015-01-01

    Spectroscopy is the study of electromagnetic radiation and its interaction with solid, liquid, gas and plasma. It is one of the widely used analytical techniques to study the structure of atoms and molecules. The technique is also employed to obtain information about atoms and molecules as a result of their distinctive spectra. The fast-spreading field of spectroscopic applications has made a noteworthy influence on many disciplines, including energy research, chemical processing, environmental protection and medicine. This book aims to introduce students to the topic of spectroscopy. The author has avoided the mathematical aspects of the subject as far as possible; they appear in the text only when inevitable. Including topics such as time-dependent perturbation theory, laser action and applications of Group Theory in interpretation of spectra, the book offers a detailed coverage of the basic concepts and applications of spectroscopy.

  19. An atomically thin matter-wave beamsplitter.

    Science.gov (United States)

    Brand, Christian; Sclafani, Michele; Knobloch, Christian; Lilach, Yigal; Juffmann, Thomas; Kotakoski, Jani; Mangler, Clemens; Winter, Andreas; Turchanin, Andrey; Meyer, Jannik; Cheshnovsky, Ori; Arndt, Markus

    2015-10-01

    Matter-wave interferometry has become an essential tool in studies on the foundations of quantum physics and for precision measurements. Mechanical gratings have played an important role as coherent beamsplitters for atoms, molecules and clusters, because the basic diffraction mechanism is the same for all particles. However, polarizable objects may experience van der Waals shifts when they pass the grating walls, and the undesired dephasing may prevent interferometry with massive objects. Here, we explore how to minimize this perturbation by reducing the thickness of the diffraction mask to its ultimate physical limit, that is, the thickness of a single atom. We have fabricated diffraction masks in single-layer and bilayer graphene as well as in a 1 nm thin carbonaceous biphenyl membrane. We identify conditions to transform an array of single-layer graphene nanoribbons into a grating of carbon nanoscrolls. We show that all these ultrathin nanomasks can be used for high-contrast quantum diffraction of massive molecules. They can be seen as a nanomechanical answer to the question debated by Bohr and Einstein of whether a softly suspended double slit would destroy quantum interference. In agreement with Bohr's reasoning we show that quantum coherence prevails, even in the limit of atomically thin gratings.

  20. Non-perturbative effects in supersymmetry

    International Nuclear Information System (INIS)

    Veneziano, G.

    1987-01-01

    Some non perturbative aspects of globally supersymmetric (SUSY) gauge theories are discussed. These share with their non-supersymmetric analogues interesting non perturbative features, such as the spontaneous breaking of chiral symmetries via condensates. What is peculiar about supersymmetric theories, however, is that one is able to say a lot about non-perturbative effects even without resorting to elaborate numerical calculations: general arguments, supersymmetric and chiral Ward identities and analytic, dynamical calculations will turn out to effectively determine most of the supersymmetric vacuum properties. 28 references, 5 figures

  1. The theory of singular perturbations

    CERN Document Server

    De Jager, E M

    1996-01-01

    The subject of this textbook is the mathematical theory of singular perturbations, which despite its respectable history is still in a state of vigorous development. Singular perturbations of cumulative and of boundary layer type are presented. Attention has been given to composite expansions of solutions of initial and boundary value problems for ordinary and partial differential equations, linear as well as quasilinear; also turning points are discussed. The main emphasis lies on several methods of approximation for solutions of singularly perturbed differential equations and on the mathemat

  2. Rotation of quantum impurities in the presence of a many-body environment

    Science.gov (United States)

    Lemeshko, Mikhail; Schmidt, Richard

    2015-05-01

    Pioneered by the seminal works of Wigner and Racah, the quantum theory of angular momentum evolved into a powerful machinery, commonly used to classify the states of isolated quantum systems and perturbations to their structure due to electromagnetic or crystalline fields. In ``realistic'' experiments, however, quantum systems are almost inevitably coupled to a many-particle environment and a field of elementary excitations associated with it, which is capable of fundamentally altering the physics of the system. We present the first systematic treatment of quantum rotation coupled to a many-particle environment. By using a series of canonical transformations on a generic microscopic Hamiltonian, we single out the conserved quantities of the problem. Using a variational ansatz accounting for an infinite number of many-body excitations, we characterize the spectrum of angular momentum eigenstates and identify the regions of instability, accompanied by emission of angular Cerenkov radiation. The developed technique can be applied to a wide range of systems described by the angular momentum algebra, from Rydberg atoms immersed into BEC's, to cold molecules solvated in helium droplets, to ultracold molecular ions.

  3. STARK-EFFECT IN BARIUM 6SND 1D2 RYDBERG STATES - EVIDENCE OF STRONG PERTURBATIONS IN THE 1F3 SERIES

    NARCIS (Netherlands)

    van Leeuwen, K.A.H.; Hogervorst, W.; Post, B.H.

    1983-01-01

    The scalar and tensor polarizabilities of the barium 6snd D21 states with principal quantum number n ranging from 14 to 30, as well as those of the 5d 7d D21 perturber state near n=26, have been measured with high-resolution laser-atomic-beam spectroscopy. The data are analyzed by calculating the

  4. Nanoscale imaging of the growth and division of bacterial cells on planar substrates with the atomic force microscope

    Energy Technology Data Exchange (ETDEWEB)

    Van Der Hofstadt, M. [Institut de Bioenginyeria de Catalunya (IBEC), C/ Baldiri i Reixac 11-15, 08028 Barcelona (Spain); Hüttener, M.; Juárez, A. [Institut de Bioenginyeria de Catalunya (IBEC), C/ Baldiri i Reixac 11-15, 08028 Barcelona (Spain); Departament de Microbiologia, Universitat de Barcelona, Avinguda Diagonal 645, 08028 Barcelona (Spain); Gomila, G., E-mail: ggomila@ibecbarcelona.eu [Institut de Bioenginyeria de Catalunya (IBEC), C/ Baldiri i Reixac 11-15, 08028 Barcelona (Spain); Departament d' Electronica, Universitat de Barcelona, C/ Marti i Franqués 1, 08028 Barcelona (Spain)

    2015-07-15

    With the use of the atomic force microscope (AFM), the Nanomicrobiology field has advanced drastically. Due to the complexity of imaging living bacterial processes in their natural growing environments, improvements have come to a standstill. Here we show the in situ nanoscale imaging of the growth and division of single bacterial cells on planar substrates with the atomic force microscope. To achieve this, we minimized the lateral shear forces responsible for the detachment of weakly adsorbed bacteria on planar substrates with the use of the so called dynamic jumping mode with very soft cantilever probes. With this approach, gentle imaging conditions can be maintained for long periods of time, enabling the continuous imaging of the bacterial cell growth and division, even on planar substrates. Present results offer the possibility to observe living processes of untrapped bacteria weakly attached to planar substrates. - Highlights: • Gelatine coatings used to weakly attach bacterial cells onto planar substrates. • Use of the dynamic jumping mode as a non-perturbing bacterial imaging mode. • Nanoscale resolution imaging of unperturbed single living bacterial cells. • Growth and division of single bacteria cells on planar substrates observed.

  5. Keldysh meets Lindblad: Correlated Gain and Loss in Higher Order Perturbation Theory

    Science.gov (United States)

    Stace, Tom; Mueller, Clemens

    Motivated by correlated decay processes driving gain, loss and lasing in driven artificial quantum systems, we develop a theoretical technique using Keldysh diagrammatic perturbation theory to derive a Lindblad master equation that goes beyond the usual second order perturbation theory. We demonstrate the method on the driven dissipative Rabi model, including terms up to fourth order in the interaction between the qubit and both the resonator and environment. This results in a large class of Lindblad dissipators and associated rates which go beyond the terms that have previously been proposed to describe similar systems. All of the additional terms contribute to the system behaviour at the same order of perturbation theory. We then apply these results to analyse the phonon-assisted steady-state gain of a microwave field driving a double quantum-dot in a resonator. We show that resonator gain and loss are substantially affected by dephasing- assisted dissipative processes in the quantum-dot system. These additional processes, which go beyond recently proposed polaronic theories, are in good quantitative agreement with experimental observations.

  6. Characterization of local hydrophobicity on sapphire (0001) surfaces in aqueous environment by colloidal probe atomic force microscopy

    Energy Technology Data Exchange (ETDEWEB)

    Wada, Tomoya; Yamazaki, Kenji; Isono, Toshinari; Ogino, Toshio, E-mail: ogino-toshio-rx@ynu.ac.jp

    2017-02-28

    Highlights: • Local hydrophobicity of phase-separated sapphire (0001) surfaces was investigated. • These surfaces are featured by coexistence of hydrophilic and hydrophobic domains. • Each domain was characterized by colloidal probe atomic force microscopy in water. • Both domains can be distinguished by adhesive forces of the probe to the surfaces. • Characterization in aqueous environment is important in bio-applications of sapphire. - Abstract: Sapphire (0001) surfaces exhibit a phase-separation into hydrophobic and hydrophilic domains upon high-temperature annealing, which were previously distinguished by the thickness of adsorbed water layers in air using atomic force microscopy (AFM). To characterize their local surface hydrophobicity in aqueous environment, we used AFM equipped with a colloidal probe and measured the local adhesive force between each sapphire domain and a hydrophilic SiO{sub 2} probe surface, or a hydrophobic polystyrene one. Two data acquisition modes for statistical analyses were used: one is force measurements at different positions of the surface and the other repeated measurement at a fixed position. We found that adhesive force measurements using the polystyrene probe allow us to distinctly separate the hydrophilic and hydrophobic domains. The dispersion in the force measurement data at different positions of the surface is larger than that in the repeated measurements at a fixed position. It indicates that the adhesive force measurement is repeatable although their data dispersion for the measurement positions is relatively large. From these results, we can conclude that the hydrophilic and hydrophobic domains on the sapphire (0001) surfaces are distinguished by a difference in their hydration degrees.

  7. Local perturbations perturb—exponentially–locally

    International Nuclear Information System (INIS)

    De Roeck, W.; Schütz, M.

    2015-01-01

    We elaborate on the principle that for gapped quantum spin systems with local interaction, “local perturbations [in the Hamiltonian] perturb locally [the groundstate].” This principle was established by Bachmann et al. [Commun. Math. Phys. 309, 835–871 (2012)], relying on the “spectral flow technique” or “quasi-adiabatic continuation” [M. B. Hastings, Phys. Rev. B 69, 104431 (2004)] to obtain locality estimates with sub-exponential decay in the distance to the spatial support of the perturbation. We use ideas of Hamza et al. [J. Math. Phys. 50, 095213 (2009)] to obtain similarly a transformation between gapped eigenvectors and their perturbations that is local with exponential decay. This allows to improve locality bounds on the effect of perturbations on the low lying states in certain gapped models with a unique “bulk ground state” or “topological quantum order.” We also give some estimate on the exponential decay of correlations in models with impurities where some relevant correlations decay faster than one would naively infer from the global gap of the system, as one also expects in disordered systems with a localized groundstate

  8. Perturbation theory in large order

    International Nuclear Information System (INIS)

    Bender, C.M.

    1978-01-01

    For many quantum mechanical models, the behavior of perturbation theory in large order is strikingly simple. For example, in the quantum anharmonic oscillator, which is defined by -y'' + (x 2 /4 + ex 4 /4 - E) y = 0, y ( +- infinity) = 0, the perturbation coefficients, A/sub n/, in the expansion for the ground-state energy, E(ground state) approx. EPSILON/sub n = 0//sup infinity/ A/sub n/epsilon/sup n/, simplify dramatically as n → infinity: A/sub n/ approx. (6/π 3 )/sup 1/2/(-3)/sup n/GAMMA(n + 1/2). Methods of applied mathematics are used to investigate the nature of perturbation theory in quantum mechanics and show that its large-order behavior is determined by the semiclassical content of the theory. In quantum field theory the perturbation coefficients are computed by summing Feynman graphs. A statistical procedure in a simple lambda phi 4 model for summing the set of all graphs as the number of vertices → infinity is presented. Finally, the connection between the large-order behavior of perturbation theory in quantum electrodynamics and the value of α, the charge on the electron, is discussed. 7 figures

  9. Some remarks on perturbation in flame photometry; Quelques remarques sur les perturbations dans la photometrie de flamme

    Energy Technology Data Exchange (ETDEWEB)

    Malinowski, J [Commissariat a l' Energie Atomique, Saclay (France).Centre d' Etudes Nucleaires

    1960-07-01

    After classifying the various types of perturbations, the author attempts to explain their causes. He then gives examples of possibilities of suppressing them. (author) [French] Ayant classe les divers types de perturbations en categories, l'auteur essaie d'expliquer les causes de ces perturbations. Il donne ensuite des exemples de possibilites de les supprimer. (auteur)

  10. Single atom spectroscopy: Decreased scattering delocalization at high energy losses, effects of atomic movement and X-ray fluorescence yield

    International Nuclear Information System (INIS)

    Tizei, Luiz H.G.; Iizumi, Yoko; Okazaki, Toshiya; Nakanishi, Ryo; Kitaura, Ryo; Shinohara, Hisanori; Suenaga, Kazu

    2016-01-01

    Single atom localization and identification is crucial in understanding effects which depend on the specific local environment of atoms. In advanced nanometer scale materials, the characteristics of individual atoms may play an important role. Here, we describe spectroscopic experiments (electron energy loss spectroscopy, EELS, and Energy Dispersed X-ray spectroscopy, EDX) using a low voltage transmission electron microscope designed towards single atom analysis. For EELS, we discuss the advantages of using lower primary electron energy (30 keV and 60 keV) and higher energy losses (above 800 eV). The effect of atomic movement is considered. Finally, we discuss the possibility of using atomically resolved EELS and EDX data to measure the fluorescence yield for X-ray emission.

  11. Perturbation theory of effective Hamiltonians

    International Nuclear Information System (INIS)

    Brandow, B.H.

    1975-01-01

    This paper constitutes a review of the many papers which have used perturbation theory to derive ''effective'' or ''model'' Hamiltonians. It begins with a brief review of nondegenerate and non-many-body perturbation theory, and then considers the degenerate but non-many-body problem in some detail. It turns out that the degenerate perturbation problem is not uniquely defined, but there are some practical criteria for choosing among the various possibilities. Finally, the literature dealing with the linked-cluster aspects of open-shell many-body systems is reviewed. (U.S.)

  12. Simple analytical expressions for the analysis of the phase-dependent electromagnetically induced transparency in a double-Λ atomic scheme

    International Nuclear Information System (INIS)

    Dimitrijević, J; Arsenović, D

    2012-01-01

    We study a double-Λ atomic scheme that interacts with four laser light beams so that a closed loop of radiation-induced transitions is formed. When specific relations for field phases, frequencies and amplitudes are satisfied, coherent superpositions (the so-called ‘dark states’) can be formed in a double-Λ, which leads to the well-known effect of electromagnetically induced transparency (EIT). If the interaction scheme in a double-Λ system is such that a closed loop is formed, the relative phase of the laser light fields becomes very important. We analyze here the effect of the lasers' relative phase on the EIT in double-Λ configuration of levels. The theoretical study of interactions of lasers with a double-Λ atomic scheme is commonly conducted by solving the optical Bloch equations (OBEs). We use here a perturbative method for solving OBEs, where the interaction of lasers with double-Λ is considered a perturbation. An advantage of the perturbative method is that it generally produces simpler solutions, and analytical expressions can be obtained. We present analytical expressions for the lower-order corrections of the EIT signal. Our results show that the EIT by the perturbative method can be approximated by the sum of products of complex Lorentzians. Through these expressions, we see in what way the relative phase affects the overall EIT profile. (paper)

  13. Beyond perturbation introduction to the homotopy analysis method

    CERN Document Server

    Liao, Shijun

    2003-01-01

    Solving nonlinear problems is inherently difficult, and the stronger the nonlinearity, the more intractable solutions become. Analytic approximations often break down as nonlinearity becomes strong, and even perturbation approximations are valid only for problems with weak nonlinearity.This book introduces a powerful new analytic method for nonlinear problems-homotopy analysis-that remains valid even with strong nonlinearity. In Part I, the author starts with a very simple example, then presents the basic ideas, detailed procedures, and the advantages (and limitations) of homotopy analysis. Part II illustrates the application of homotopy analysis to many interesting nonlinear problems. These range from simple bifurcations of a nonlinear boundary-value problem to the Thomas-Fermi atom model, Volterra''s population model, Von Kármán swirling viscous flow, and nonlinear progressive waves in deep water.Although the homotopy analysis method has been verified in a number of prestigious journals, it has yet to be ...

  14. Handbook of theoretical atomic physics data for photon absorption, electron scattering, and vacancies decay

    CERN Document Server

    Amusia, Miron Ya; Yarzhemsky, Victor

    2012-01-01

    The aim of this book is to present highly accurate and extensive theoretical Atomic data and to give a survey of selected calculational methods for atomic physics, used to obtain these data. The book presents the results of calculations of cross sections and probabilities of a broad variety of atomic processes with participation of photons and electrons, namely on photoabsorption, electron scattering and accompanying effects. Included are data for photoabsorption and electron scattering cross-sections and probabilities of vacancy decay formed for a large number of atoms and ions. Attention is also given to photoionization and vacancy decay in endohedrals and to positron-atom scattering. The book is richly illustrated. The methods used are one-electron Hartree-Fock and the technique of Feynman diagrams that permits to include many-electron correlations. This is done in the frames of the Random Phase approximation with exchange and the many-body perturbation theory. Newly obtained and previously collected atomi...

  15. Visuomotor Entrainment and the Frequency-Dependent Response of Walking Balance to Perturbations.

    Science.gov (United States)

    Franz, Jason R; Francis, Carrie; Allen, Matt; Thelen, Darryl G

    2016-08-26

    Visuomotor entrainment, or the synchronization of motor responses to visual stimuli, is a naturally emergent phenomenon in human standing. Our purpose was to investigate the prevalence and resolution of visuomotor entrainment in walking and the frequency-dependent response of walking balance to perturbations. We used a virtual reality environment to manipulate optical flow in ten healthy young adults during treadmill walking. A motion capture system recorded trunk, sacrum, and heel marker trajectories during a series of 3-min conditions in which we perturbed a virtual hallway mediolaterally with systematic changes in the driving frequencies of perceived motion. We quantified visuomotor entrainment using spectral analyses and balance deficits using trunk sway, gait variability, and detrended fluctuation analyses (DFA). ML kinematics were highly sensitive to visual perturbations, and instinctively synchronized (i.e., entrained) to a broad range of driving frequencies of perceived ML motion. However, the influence of visual perturbations on metrics of walking balance was frequency-dependent and governed by their proximity to stride frequency. Specifically, we found that a driving frequency nearest to subjects' average stride frequency uniquely compromised trunk sway, gait variability, and step-to-step correlations. We conclude that visuomotor entrainment is a robust and naturally emerging phenomenon during human walking, involving coordinated and frequency-dependent adjustments in trunk sway and foot placement to maintain balance at the whole-body level. These findings provide mechanistic insight into how the visuomotor control of walking balance is disrupted by visual perturbations and important reference values for the emergence of balance deficits due to age, injury, or disease.

  16. Physical replicas and the Bose glass in cold atomic gases

    International Nuclear Information System (INIS)

    Morrison, S; Kantian, A; Daley, A J; Zoller, P; Katzgraber, H G; Lewenstein, M; Buechler, H P

    2008-01-01

    We study cold atomic gases in a disorder potential and analyse the correlations between different systems subjected to the same disorder landscape. Such independent copies with the same disorder landscape are known as replicas. While, in general, these are not accessible experimentally in condensed matter systems, they can be realized using standard tools for controlling cold atomic gases in an optical lattice. Of special interest is the overlap function which represents a natural order parameter for disordered systems and is a correlation function between the atoms of two independent replicas with the same disorder. We demonstrate an efficient measurement scheme for the determination of this disorder-induced correlation function. As an application, we focus on the disordered Bose-Hubbard model and determine the overlap function within the perturbation theory and a numerical analysis. We find that the measurement of the overlap function allows for the identification of the Bose-glass phase in certain parameter regimes

  17. Theoretical femtosecond physics atoms and molecules in strong laser fields

    CERN Document Server

    Grossmann, Frank

    2013-01-01

    Theoretical investigations of atoms and molecules interacting with pulsed or continuous wave lasers up to atomic field strengths on the order of 10^16 W/cm² are leading to an understanding of many challenging experimental discoveries. This book deals with the basics of femtosecond physics and goes up to the latest applications of new phenomena. The book presents an introduction to laser physics with mode-locking and pulsed laser operation. The solution of the time-dependent Schrödinger equation is discussed both analytically and numerically. The basis for the non-perturbative treatment of laser-matter interaction in the book is the numerical solution of the time-dependent Schrödinger equation. The light field is treated classically, and different possible gauges are discussed. Physical phenonema, ranging from Rabi-oscillations in two-level systems to the ionization of atoms, the generation of high harmonics, the ionization and dissociation of molecules as well as the control of chemical reactions are pre...

  18. Two-electron one-photon decay rates in doubly ionized atoms

    International Nuclear Information System (INIS)

    Baptista, G.B.

    1984-01-01

    The transion rate for the two-electron one-photon and one-electron one-photon decaying processes in atoms bearing initially two K-shell vacancies were evaluated for Ne up to Zr. The two-electron one-photon decay process is considered to be the result of the interaction between the jumping electrons and their interaction with the radiation field. The calculation is performed in second order perturbation theory and the many particle states are constructed from single particle solutions. The present approach allows one to discuss several aspects of the decaying process. The results obtained for the branching ratio between the two processes reproduces reasonably well available experimental data and show an almost linear dependence on the second power of the atomic number. A comparison with other theoretical predictions is also presented for the two decaying processes and the strong dependence of the branching ratio on the initial configuration of the decaying atom is pointed out. (Author) [pt

  19. Physical replicas and the Bose glass in cold atomic gases

    Energy Technology Data Exchange (ETDEWEB)

    Morrison, S; Kantian, A; Daley, A J; Zoller, P [Institute for Theoretical Physics, University of Innsbruck, Technikerstr. 25, A-6020 Innsbruck (Austria); Katzgraber, H G [Theoretische Physik, ETH Zurich, CH-8093 Zuerich (Switzerland); Lewenstein, M [ICAO-Institut de Ciencies Fotoniques, Parc Mediterrani de la Tecnologia, E-08860 Castelldefels, Barcelona (Spain); Buechler, H P [Institute for Theoretical Physics III, University of Stuttgart, Pfaffenwaldring 57, 70550 Stuttgart (Germany)], E-mail: sarah.morrison@uibk.ac.at

    2008-07-15

    We study cold atomic gases in a disorder potential and analyse the correlations between different systems subjected to the same disorder landscape. Such independent copies with the same disorder landscape are known as replicas. While, in general, these are not accessible experimentally in condensed matter systems, they can be realized using standard tools for controlling cold atomic gases in an optical lattice. Of special interest is the overlap function which represents a natural order parameter for disordered systems and is a correlation function between the atoms of two independent replicas with the same disorder. We demonstrate an efficient measurement scheme for the determination of this disorder-induced correlation function. As an application, we focus on the disordered Bose-Hubbard model and determine the overlap function within the perturbation theory and a numerical analysis. We find that the measurement of the overlap function allows for the identification of the Bose-glass phase in certain parameter regimes.

  20. On the non-perturbative effects

    International Nuclear Information System (INIS)

    Manjavidze, J.; Voronyuk, V.

    2004-01-01

    The quantum correspondence principle based on the time reversibility is adopted to take into account the non-Abelian symmetry constrains. The main properties of the new strong-coupling perturbation theory which take into account non-perturbative effects are described. (author)

  1. The kicked Rydberg atom: Regular and stochastic motion

    International Nuclear Information System (INIS)

    Burgdoerfer, J.

    1988-01-01

    We have investigated the dynamics of a three-dimensional classical Rydberg atom driven by a sequence of pulses. Both the deterministic system with periodic pulses and the closely related ''noisy'' system with random pulses have been studied in parallel. The Lyapunov exponent is calculated as a function of pulse height and the angular momentum of the initial state. We find differences between noisy and deterministic perturbations to be most pronounced for small pulse heights. Low angular momentum orbits show enhanced diffusion in agreement with recent experimental data for ion-solid interaction. 22 refs., 6 figs

  2. Inhomogeneous atomic Bose-Fermi mixtures in cubic lattices

    International Nuclear Information System (INIS)

    Cramer, M.; Eisert, J.; Illuminati, F.

    2004-01-01

    We determine the ground state properties of inhomogeneous mixtures of bosons and fermions in cubic lattices and parabolic confining potentials. For finite hopping we determine the domain boundaries between Mott-insulator plateaux and hopping-dominated regions for lattices of arbitrary dimension within mean-field and perturbation theory. The results are compared with a new numerical method that is based on a Gutzwiller variational approach for the bosons and an exact treatment for the fermions. The findings can be applied as a guideline for future experiments with trapped atomic Bose-Fermi mixtures in optical lattices

  3. Inhomogeneous atomic Bose-Fermi mixtures in cubic lattices.

    Science.gov (United States)

    Cramer, M; Eisert, J; Illuminati, F

    2004-11-05

    We determine the ground state properties of inhomogeneous mixtures of bosons and fermions in cubic lattices and parabolic confining potentials. For finite hopping we determine the domain boundaries between Mott-insulator plateaux and hopping-dominated regions for lattices of arbitrary dimension within mean-field and perturbation theory. The results are compared with a new numerical method that is based on a Gutzwiller variational approach for the bosons and an exact treatment for the fermions. The findings can be applied as a guideline for future experiments with trapped atomic Bose-Fermi mixtures in optical lattices.

  4. A simple nonbinary scattering model applicable to atomic collisions is crystals at 1ow energies

    DEFF Research Database (Denmark)

    Andersen, Hans Henrik; Sigmund, Peter

    1966-01-01

    the asymptotic velocities of the ring atoms as well as the energy loss of the projectile. Furthermore, it can be decided whether the projectile is reflected by the ring. Both the feasibility of assumptions specifying the problem and the validity of different approximations made in the transformation from...... previously. Inelastic contributions to the energy loss can easily be included. The oscillator forces binding lattice atoms turn out to influence the scattering process only at very small energies. The validity of the so-called momentum approximation and a related perturbation method are also investigated....

  5. Evolution of the curvature perturbations during warm inflation

    International Nuclear Information System (INIS)

    Matsuda, Tomohiro

    2009-01-01

    This paper considers warm inflation as an interesting application of multi-field inflation. Delta-N formalism is used for the calculation of the evolution of the curvature perturbations during warm inflation. Although the perturbations considered in this paper are decaying after the horizon exit, the corrections to the curvature perturbations sourced by these perturbations can remain and dominate the curvature perturbations at large scales. In addition to the typical evolution of the curvature perturbations, inhomogeneous diffusion rate is considered for warm inflation, which may lead to significant non-Gaussianity of the spectrum

  6. Perturbative spacetimes from Yang-Mills theory

    Energy Technology Data Exchange (ETDEWEB)

    Luna, Andrés [School of Physics and Astronomy, University of Glasgow,Glasgow G12 8QQ, Scotland (United Kingdom); Monteiro, Ricardo [Theoretical Physics Department, CERN,Geneva (Switzerland); Nicholson, Isobel; Ochirov, Alexander; O’Connell, Donal [Higgs Centre for Theoretical Physics,School of Physics and Astronomy, The University of Edinburgh,Edinburgh EH9 3JZ, Scotland (United Kingdom); Westerberg, Niclas [Institute of Photonics and Quantum Sciences,School of Engineering and Physical Sciences, Heriot-Watt University,Edinburgh (United Kingdom); Higgs Centre for Theoretical Physics,School of Physics and Astronomy, The University of Edinburgh,Edinburgh EH9 3JZ, Scotland (United Kingdom); White, Chris D. [Centre for Research in String Theory,School of Physics and Astronomy, Queen Mary University of London,327 Mile End Road, London E1 4NS (United Kingdom)

    2017-04-12

    The double copy relates scattering amplitudes in gauge and gravity theories. In this paper, we expand the scope of the double copy to construct spacetime metrics through a systematic perturbative expansion. The perturbative procedure is based on direct calculation in Yang-Mills theory, followed by squaring the numerator of certain perturbative diagrams as specified by the double-copy algorithm. The simplest spherically symmetric, stationary spacetime from the point of view of this procedure is a particular member of the Janis-Newman-Winicour family of naked singularities. Our work paves the way for applications of the double copy to physically interesting problems such as perturbative black-hole scattering.

  7. Nonperturbative perturbation theory

    International Nuclear Information System (INIS)

    Bender, C.M.

    1989-01-01

    In this talk we describe a recently proposed graphical perturbative calculational scheme for quantum field theory. The basic idea is to expand in the power of the interaction term. For example, to solve a λφ 4 theory in d-dimensional space-time, we introduce a small parameter δ and consider a λ(φ 2 ) 1+δ field theory. We show how to expand such a theory as a series in powers of δ. The resulting perturbation series appears to have a finite radius of convergence and numerical results for low-dimensional models are good. We have computed the two-point and four-point Green's functions to second order in powers of δ and the 2n-point Green's functions (n>2) to order δ. We explain how to renormalize the theory and show that, to first order in powers of δ, when δ>0 and d≥4 the theory is free. This conclusion remains valid to second order in powers of δ, and we believe that it remains valid to all orders in powers of δ. The new perturbative scheme is consistent with global supersymmetry invariance. We examine a two-dimensional supersymmetric quantum field theory in which we do not know of any other means for doing analytical calculations. We illustrate the power of this new technique by computing the ground-state energy density E to second order in this new perturbation theory. We show that there is a beautiful and delicate cancellation between infinite classes of graphs which leads to the result that E=0. (orig.)

  8. Theoretical Study of Energy Levels and Transition Probabilities of Boron Atom

    Science.gov (United States)

    Tian Yi, Zhang; Neng Wu, Zheng

    2009-08-01

    Full Text PDF Though the electrons configuration for boron atom is simple and boron atom has long been of interest for many researchers, the theoretical studies for properties of BI are not systematic, there are only few results reported on energy levels of high excited states of boron, and transition measurements are generally restricted to transitions involving ground states and low excited states without considering fine structure effects, provided only multiplet results, values for transitions between high excited states are seldom performed. In this article, by using the scheme of the weakest bound electron potential model theory calculations for energy levels of five series are performed and with the same method we give the transition probabilities between excited states with considering fine structure effects. The comprehensive set of calculations attempted in this paper could be of some value to workers in the field because of the lack of published calculations for the BI systems. The perturbations coming from foreign perturbers are taken into account in studying the energy levels. Good agreement between our results and the accepted values taken from NIST has been obtained. We also reported some values of energy levels and transition probabilities not existing on the NIST data bases.

  9. Kerr-CFT and gravitational perturbations

    International Nuclear Information System (INIS)

    Dias, Oscar J.C.; Reall, Harvey S.; Santos, Jorge E.

    2009-01-01

    Motivated by the Kerr-CFT conjecture, we investigate perturbations of the near-horizon extreme Kerr spacetime. The Teukolsky equation for a massless field of arbitrary spin is solved. Solutions fall into two classes: normal modes and traveling waves. Imposing suitable (outgoing) boundary conditions, we find that there are no unstable modes. The explicit form of metric perturbations is obtained using the Hertz potential formalism, and compared with the Kerr-CFT boundary conditions. The energy and angular momentum associated with scalar field and gravitational normal modes are calculated. The energy is positive in all cases. The behaviour of second order perturbations is discussed.

  10. The power of perturbation theory

    Energy Technology Data Exchange (ETDEWEB)

    Serone, Marco [SISSA International School for Advanced Studies and INFN Trieste, Via Bonomea 265, 34136, Trieste (Italy); Abdus Salam International Centre for Theoretical Physics, Strada Costiera 11, 34151, Trieste (Italy); Spada, Gabriele [SISSA International School for Advanced Studies and INFN Trieste, Via Bonomea 265, 34136, Trieste (Italy); Villadoro, Giovanni [Abdus Salam International Centre for Theoretical Physics, Strada Costiera 11, 34151, Trieste (Italy)

    2017-05-10

    We study quantum mechanical systems with a discrete spectrum. We show that the asymptotic series associated to certain paths of steepest-descent (Lefschetz thimbles) are Borel resummable to the full result. Using a geometrical approach based on the Picard-Lefschetz theory we characterize the conditions under which perturbative expansions lead to exact results. Even when such conditions are not met, we explain how to define a different perturbative expansion that reproduces the full answer without the need of transseries, i.e. non-perturbative effects, such as real (or complex) instantons. Applications to several quantum mechanical systems are presented.

  11. Study of helium and beryllium atoms with strong and short laser field; Etude des atomes d'helium et de beryllium en champ laser intense et bref

    Energy Technology Data Exchange (ETDEWEB)

    Laulan, St

    2004-09-01

    We present a theoretical study of the interaction between a two-active electron atom and an intense (10{sup 14} to 10{sup 15} W/cm{sup 2}) and ultrashort (from a few 10{sup -15} to a few 10{sup -18} s) laser field. In the first part, we describe the current experimental techniques able to produce a coherent radiation of high power in the UV-XUV regime and with femtosecond time duration. A theoretical model of a laser pulse is defined with such characteristics. Then, we develop a numerical approach based on B-spline functions to describe the atomic structure of the two-active electron system. A spectral non perturbative method is proposed to solve the time dependent Schroedinger equation. We focalize our attention on the description of the atomic double continuum states. Finally, we expose results on the double ionization of helium and beryllium atoms with intense and short laser field. In particular, we present total cross section calculations and ejected electron energy distributions in the double continuum after one- and two-photon absorption. (author)

  12. The Library of Integrated Network-Based Cellular Signatures NIH Program: System-Level Cataloging of Human Cells Response to Perturbations.

    Science.gov (United States)

    Keenan, Alexandra B; Jenkins, Sherry L; Jagodnik, Kathleen M; Koplev, Simon; He, Edward; Torre, Denis; Wang, Zichen; Dohlman, Anders B; Silverstein, Moshe C; Lachmann, Alexander; Kuleshov, Maxim V; Ma'ayan, Avi; Stathias, Vasileios; Terryn, Raymond; Cooper, Daniel; Forlin, Michele; Koleti, Amar; Vidovic, Dusica; Chung, Caty; Schürer, Stephan C; Vasiliauskas, Jouzas; Pilarczyk, Marcin; Shamsaei, Behrouz; Fazel, Mehdi; Ren, Yan; Niu, Wen; Clark, Nicholas A; White, Shana; Mahi, Naim; Zhang, Lixia; Kouril, Michal; Reichard, John F; Sivaganesan, Siva; Medvedovic, Mario; Meller, Jaroslaw; Koch, Rick J; Birtwistle, Marc R; Iyengar, Ravi; Sobie, Eric A; Azeloglu, Evren U; Kaye, Julia; Osterloh, Jeannette; Haston, Kelly; Kalra, Jaslin; Finkbiener, Steve; Li, Jonathan; Milani, Pamela; Adam, Miriam; Escalante-Chong, Renan; Sachs, Karen; Lenail, Alex; Ramamoorthy, Divya; Fraenkel, Ernest; Daigle, Gavin; Hussain, Uzma; Coye, Alyssa; Rothstein, Jeffrey; Sareen, Dhruv; Ornelas, Loren; Banuelos, Maria; Mandefro, Berhan; Ho, Ritchie; Svendsen, Clive N; Lim, Ryan G; Stocksdale, Jennifer; Casale, Malcolm S; Thompson, Terri G; Wu, Jie; Thompson, Leslie M; Dardov, Victoria; Venkatraman, Vidya; Matlock, Andrea; Van Eyk, Jennifer E; Jaffe, Jacob D; Papanastasiou, Malvina; Subramanian, Aravind; Golub, Todd R; Erickson, Sean D; Fallahi-Sichani, Mohammad; Hafner, Marc; Gray, Nathanael S; Lin, Jia-Ren; Mills, Caitlin E; Muhlich, Jeremy L; Niepel, Mario; Shamu, Caroline E; Williams, Elizabeth H; Wrobel, David; Sorger, Peter K; Heiser, Laura M; Gray, Joe W; Korkola, James E; Mills, Gordon B; LaBarge, Mark; Feiler, Heidi S; Dane, Mark A; Bucher, Elmar; Nederlof, Michel; Sudar, Damir; Gross, Sean; Kilburn, David F; Smith, Rebecca; Devlin, Kaylyn; Margolis, Ron; Derr, Leslie; Lee, Albert; Pillai, Ajay

    2018-01-24

    The Library of Integrated Network-Based Cellular Signatures (LINCS) is an NIH Common Fund program that catalogs how human cells globally respond to chemical, genetic, and disease perturbations. Resources generated by LINCS include experimental and computational methods, visualization tools, molecular and imaging data, and signatures. By assembling an integrated picture of the range of responses of human cells exposed to many perturbations, the LINCS program aims to better understand human disease and to advance the development of new therapies. Perturbations under study include drugs, genetic perturbations, tissue micro-environments, antibodies, and disease-causing mutations. Responses to perturbations are measured by transcript profiling, mass spectrometry, cell imaging, and biochemical methods, among other assays. The LINCS program focuses on cellular physiology shared among tissues and cell types relevant to an array of diseases, including cancer, heart disease, and neurodegenerative disorders. This Perspective describes LINCS technologies, datasets, tools, and approaches to data accessibility and reusability. Copyright © 2017 Elsevier Inc. All rights reserved.

  13. Non-adiabatic perturbations in multi-component perfect fluids

    Energy Technology Data Exchange (ETDEWEB)

    Koshelev, N.A., E-mail: koshna71@inbox.ru [Ulyanovsk State University, Leo Tolstoy str 42, 432970 (Russian Federation)

    2011-04-01

    The evolution of non-adiabatic perturbations in models with multiple coupled perfect fluids with non-adiabatic sound speed is considered. Instead of splitting the entropy perturbation into relative and intrinsic parts, we introduce a set of symmetric quantities, which also govern the non-adiabatic pressure perturbation in models with energy transfer. We write the gauge invariant equations for the variables that determine on a large scale the non-adiabatic pressure perturbation and the rate of changes of the comoving curvature perturbation. The analysis of evolution of the non-adiabatic pressure perturbation has been made for several particular models.

  14. Non-adiabatic perturbations in multi-component perfect fluids

    International Nuclear Information System (INIS)

    Koshelev, N.A.

    2011-01-01

    The evolution of non-adiabatic perturbations in models with multiple coupled perfect fluids with non-adiabatic sound speed is considered. Instead of splitting the entropy perturbation into relative and intrinsic parts, we introduce a set of symmetric quantities, which also govern the non-adiabatic pressure perturbation in models with energy transfer. We write the gauge invariant equations for the variables that determine on a large scale the non-adiabatic pressure perturbation and the rate of changes of the comoving curvature perturbation. The analysis of evolution of the non-adiabatic pressure perturbation has been made for several particular models

  15. Scattering of electrons from argon atoms

    International Nuclear Information System (INIS)

    Dasgupta, A.; Bhatia, A.K.

    1985-01-01

    The scattering of electrons from argon atoms is studied by the method of polarized orbitals. The 3p→d perturbed orbital calculated using the Sternheimer approximation gives the polarizability 14.29a 0 3 . The perturbation of the orbitals 1s, 2s, 2p, and 3s is taken into account by renormalizing the 3p→d orbitals to give the experimental value 11.06a 0 3 . Using only the modified orbital in the total wave function, phase shifts for various partial waves have been calculated in the exchange, exchange-adiabatic, and polarized-orbital approximations. They are compared with the results of the previous calculations. The calculated total elastic, differential, and momentum-transfer cross sections are compared with the experimental results. The elastic total cross sections obtained in the polarized-orbital approximation agree very closely with the recently measured cross sections by Jost et al. and Nickel et al. The critical point (the value of k 2 and theta at which the differential cross section is minimum) is at 0.306 eV and 80 0 , in good agreement with the measurements of Weyhreter et al

  16. Atom Interferometry with Ultracold Quantum Gases in a Microgravity Environment

    Science.gov (United States)

    Williams, Jason; D'Incao, Jose; Chiow, Sheng-Wey; Yu, Nan

    2015-05-01

    Precision atom interferometers (AI) in space promise exciting technical capabilities for fundamental physics research, with proposals including unprecedented tests of the weak equivalence principle, precision measurements of the fine structure and gravitational constants, and detection of gravity waves and dark energy. Consequently, multiple AI-based missions have been proposed to NASA, including a dual-atomic-species interferometer that is to be integrated into the Cold Atom Laboratory (CAL) onboard the International Space Station. In this talk, I will discuss our plans and preparation at JPL for the proposed flight experiments to use the CAL facility to study the leading-order systematics expected to corrupt future high-precision measurements of fundamental physics with AIs in microgravity. The project centers on the physics of pairwise interactions and molecular dynamics in these quantum systems as a means to overcome uncontrolled shifts associated with the gravity gradient and few-particle collisions. We will further utilize the CAL AI for proof-of-principle tests of systematic mitigation and phase-readout techniques for use in the next-generation of precision metrology experiments based on AIs in microgravity. This research was carried out at the Jet Propulsion Laboratory, California Institute of Technology, under a contract with the National Aeronautics and Space Administration.

  17. Closed form bound-state perturbation theory

    Directory of Open Access Journals (Sweden)

    Ollie J. Rose

    1980-01-01

    Full Text Available The perturbed Schrödinger eigenvalue problem for bound states is cast into integral form using Green's Functions. A systematic algorithm is developed and applied to the resulting equation giving rise to approximate solutions expressed as functions of the given perturbation parameter. As a by-product, convergence radii for the traditional Rayleigh-Schrödinger and Brillouin-Wigner perturbation theories emerge in a natural way.

  18. Use of Earth's magnetic field for mitigating gyroscope errors regardless of magnetic perturbation.

    Science.gov (United States)

    Afzal, Muhammad Haris; Renaudin, Valérie; Lachapelle, Gérard

    2011-01-01

    Most portable systems like smart-phones are equipped with low cost consumer grade sensors, making them useful as Pedestrian Navigation Systems (PNS). Measurements of these sensors are severely contaminated by errors caused due to instrumentation and environmental issues rendering the unaided navigation solution with these sensors of limited use. The overall navigation error budget associated with pedestrian navigation can be categorized into position/displacement errors and attitude/orientation errors. Most of the research is conducted for tackling and reducing the displacement errors, which either utilize Pedestrian Dead Reckoning (PDR) or special constraints like Zero velocity UPdaTes (ZUPT) and Zero Angular Rate Updates (ZARU). This article targets the orientation/attitude errors encountered in pedestrian navigation and develops a novel sensor fusion technique to utilize the Earth's magnetic field, even perturbed, for attitude and rate gyroscope error estimation in pedestrian navigation environments where it is assumed that Global Navigation Satellite System (GNSS) navigation is denied. As the Earth's magnetic field undergoes severe degradations in pedestrian navigation environments, a novel Quasi-Static magnetic Field (QSF) based attitude and angular rate error estimation technique is developed to effectively use magnetic measurements in highly perturbed environments. The QSF scheme is then used for generating the desired measurements for the proposed Extended Kalman Filter (EKF) based attitude estimator. Results indicate that the QSF measurements are capable of effectively estimating attitude and gyroscope errors, reducing the overall navigation error budget by over 80% in urban canyon environment.

  19. On summation of perturbation expansions

    International Nuclear Information System (INIS)

    Horzela, A.

    1985-04-01

    The problem of the restoration of physical quantities defined by divergent perturbation expansions is analysed. The Pad'e and Borel summability is proved for alternating perturbation expansions with factorially growing coefficients. The proof is based on the methods of the classical moments theory. 17 refs. (author)

  20. Perturbation theory and collision probability formalism. Vol. 2

    Energy Technology Data Exchange (ETDEWEB)

    Nasr, M [National Center for Nuclear Safety and Radiation Control, Atomic Energy Authority, Cairo (Egypt)

    1996-03-01

    Perturbation theory is commonly used in evaluating the activity effects, particularly those resulting from small and localized perturbation in multiplying media., e.g. in small sample reactivity measurements. The Boltzmann integral transport equation is generally used for evaluating the direct and adjoint fluxes in the heterogenous lattice cells to be used in the perturbation equations. When applying perturbation theory in this formalism, a term involving the perturbation effects on the special transfer kernel arises. This term is difficult to evaluate correctly, since it involves an integration all over the entire system. The main advantage of the perturbation theory which is the limitation of the integration procedure on the perturbation region is found to be of no practical use in such cases. In the present work, the perturbation equation in the collision probability formalism is analyzed. A mathematical treatment of the term in question is performed. A new mathematical expression for this term is derived. The new expression which can be estimated easily is derived.

  1. Anticipation of direction and time of perturbation modulates the onset latency of trunk muscle responses during sitting perturbations.

    Science.gov (United States)

    Milosevic, Matija; Shinya, Masahiro; Masani, Kei; Patel, Kramay; McConville, Kristiina M V; Nakazawa, Kimitaka; Popovic, Milos R

    2016-02-01

    Trunk muscles are responsible for maintaining trunk stability during sitting. However, the effects of anticipation of perturbation on trunk muscle responses are not well understood. The objectives of this study were to identify the responses of trunk muscles to sudden support surface translations and quantify the effects of anticipation of direction and time of perturbation on the trunk neuromuscular responses. Twelve able-bodied individuals participated in the study. Participants were seated on a kneeling chair and support surface translations were applied in the forward and backward directions with and without direction and time of perturbation cues. The trunk started moving on average approximately 40ms after the perturbation. During unanticipated perturbations, average latencies of the trunk muscle contractions were in the range between 103.4 and 117.4ms. When participants anticipated the perturbations, trunk muscle latencies were reduced by 16.8±10.0ms and the time it took the trunk to reach maximum velocity was also reduced, suggesting a biomechanical advantage caused by faster muscle responses. These results suggested that trunk muscles have medium latency responses and use reflexive mechanisms. Moreover, anticipation of perturbation decreased trunk muscles latencies, suggesting that the central nervous system modulated readiness of the trunk based on anticipatory information. Copyright © 2015 Elsevier Ltd. All rights reserved.

  2. Hydrogen atom in intense magnetic field.

    Science.gov (United States)

    Canuto, V.; Kelly, D. C.

    1972-01-01

    The structure of a hydrogen atom situated in an intense magnetic field is investigaged. Three approaches are employed. An elementary Bohr picture establishes a crucial magnetic field strength, H sub a approximately equal to 5 x 10 to the 9th G. Fields in excess of H sub a are intense in that they are able to modify the characteristic atomic scales of length and binding energy. A second approach solves the Schrodinger equation by a combination of variational methods and perturbation theory. It yields analytic expressions for the wave functions and energy eigenvalues. A third approach determines the energy eigenvalues by reducing the Schrodinger equation to a one-dimensional wave equation, which is then solved numerically. Energy eigenvalues are tabulated for field strengths of 2 x 10 to the 10th G and 2 x 10 to the 12th G. It is found that at 2 x 10 to the 12th G the lowest energy eigenvalue is changed from -13.6 to about -180 eV in agreement with previous variational computations.

  3. Controlling Circadian Rhythms by Dark-Pulse Perturbations in Arabidopsis thaliana

    Science.gov (United States)

    Fukuda, Hirokazu; Murase, Haruhiko; Tokuda, Isao T.

    2013-01-01

    Plant circadian systems are composed of a large number of self-sustained cellular circadian oscillators. Although the light-dark signal in the natural environment is known to be the most powerful Zeitgeber for the entrainment of cellular oscillators, its effect is too strong to control the plant rhythm into various forms of synchrony. Here, we show that the application of pulse perturbations, i.e., short-term injections of darkness under constant light, provides a novel technique for controlling the synchronized behavior of plant rhythm in Arabidopsis thaliana. By destroying the synchronized cellular activities, circadian singularity was experimentally induced. The present technique is based upon the theory of phase oscillators, which does not require prior knowledge of the detailed dynamics of the plant system but only knowledge of its phase and amplitude responses to the pulse perturbation. Our approach can be applied to diverse problems of controlling biological rhythms in living systems. PMID:23524981

  4. Effect of the nonlocal exchange on the performance of the orbital-dependent correlation functionals from second-order perturbation theory.

    Science.gov (United States)

    Schweigert, Igor V; Bartlett, Rodney J

    2008-09-28

    Adding a fraction of the nonlocal exchange operator to the local orbital-dependent exchange potential improves the many-body perturbation expansion based on the Kohn-Sham determinant. The effect of such a hybrid scheme on the performance of the orbital-dependent correlation functional from the second-order perturbation theory (PT2H) is investigated numerically. A small fraction of the nonlocal exchange is often sufficient to ensure the existence of the self-consistent solution for the PT2H potential. In the He and Be atoms, including 37% of the nonlocal exchange leads to the correlation energies and electronic densities that are very close to the exact ones. In molecules, varying the fraction of the nonlocal exchange may result in the PT2H energy closely reproducing the CCSD(T) value; however such a fraction depends on the system and does not always result in an accurate electronic density. We also numerically verify that the "semicanonical" perturbation series includes most of the beneficial effects of the nonlocal exchange without sacrificing the locality of the exchange potential.

  5. Doppler Spectrum from Moving Scatterers in a Random Environment

    DEFF Research Database (Denmark)

    Andersen, Jørgen Bach; Nielsen, Jesper Ødum; Pedersen, Gert Frølund

    2009-01-01

    A random non-line-of-sight environment with stationary transmitter and receiver is considered. In such an environment movement of a scatterer will lead to perturbations of the otherwise static channel with a resulting Doppler spectrum. This is quite a general situation in outdoor environments wit...

  6. Decoherence, discord, and the quantum master equation for cosmological perturbations

    Science.gov (United States)

    Hollowood, Timothy J.; McDonald, Jamie I.

    2017-05-01

    We examine environmental decoherence of cosmological perturbations in order to study the quantum-to-classical transition and the impact of noise on entanglement during inflation. Given an explicit interaction between the system and environment, we derive a quantum master equation for the reduced density matrix of perturbations, drawing parallels with quantum Brownian motion, where we see the emergence of fluctuation and dissipation terms. Although the master equation is not in Lindblad form, we see how typical solutions exhibit positivity on super-horizon scales, leading to a physically meaningful density matrix. This allows us to write down a Langevin equation with stochastic noise for the classical trajectories which emerge from the quantum system on super-horizon scales. In particular, we find that environmental decoherence increases in strength as modes exit the horizon, with the growth driven essentially by white noise coming from local contributions to environmental correlations. Finally, we use our master equation to quantify the strength of quantum correlations as captured by discord. We show that environmental interactions have a tendency to decrease the size of the discord and that these effects are determined by the relative strength of the expansion rate and interaction rate of the environment. We interpret this in terms of the competing effects of particle creation versus environmental fluctuations, which tend to increase and decrease the discord respectively.

  7. Secondary isocurvature perturbations from acoustic reheating

    Science.gov (United States)

    Ota, Atsuhisa; Yamaguchi, Masahide

    2018-06-01

    The superhorizon (iso)curvature perturbations are conserved if the following conditions are satisfied: (i) (each) non adiabatic pressure perturbation is zero, (ii) the gradient terms are ignored, that is, at the leading order of the gradient expansion (iii) (each) total energy momentum tensor is conserved. We consider the case with the violation of the last two requirements and discuss the generation of secondary isocurvature perturbations during the late time universe. Second order gradient terms are not necessarily ignored even if we are interested in the long wavelength modes because of the convolutions which may pick products of short wavelength perturbations up. We then introduce second order conserved quantities on superhorizon scales under the conditions (i) and (iii) even in the presence of the gradient terms by employing the full second order cosmological perturbation theory. We also discuss the violation of the condition (iii), that is, the energy momentum tensor is conserved for the total system but not for each component fluid. As an example, we explicitly evaluate second order heat conduction between baryons and photons due to the weak Compton scattering, which dominates during the period just before recombination. We show that such secondary effects can be recast into the isocurvature perturbations on superhorizon scales if the local type primordial non Gaussianity exists a priori.

  8. Generalized chiral perturbation theory

    International Nuclear Information System (INIS)

    Knecht, M.; Stern, J.

    1994-01-01

    The Generalized Chiral Perturbation Theory enlarges the framework of the standard χPT (Chiral Perturbation Theory), relaxing certain assumptions which do not necessarily follow from QCD or from experiment, and which are crucial for the usual formulation of the low energy expansion. In this way, experimental tests of the foundations of the standard χPT become possible. Emphasis is put on physical aspects rather than on formal developments of GχPT. (author). 31 refs

  9. Proceedings of the NASA workshop on atomic oxygen effects

    International Nuclear Information System (INIS)

    Brinza, D.E.

    1987-06-01

    A workshop was held to address the scientific issues concerning the effects of atomic oxygen on materials in the low Earth orbital (LEO) environment. The program included 18 invited speakers plus contributed posters covering topics such as LEO spaceflight experiments, interaction mechanisms, and atomic oxygen source development. Discussion sessions were also held to organize a test program to evaluate atomic oxygen exposure facilities. The key issues raised in the workshop were: (1) the need to develop a reliable predictive model of the effects of long-term exposure of materials to the LEO environment; (2) the ability of ground-based exposure facilities to provide useful data for development of durable materials; and (3) accurate determination of the composition of the LEO environment. These proceedings include the invited papers, the abstracts for the contributed posters, and an account of the test program discussion sessions

  10. Dipole and quadrupole forces exerted on atoms in laser fields: The nonperturbative approach

    International Nuclear Information System (INIS)

    Sindelka, Milan; Moiseyev, Nimrod; Cederbaum, Lorenz S.

    2006-01-01

    Manipulation of cold atoms by lasers has so far been studied solely within the framework of the conventional dipole approximation, and the atom-light interaction has been treated using low order perturbation theory. Laser control of atomic motions has been ascribed exclusively to the corresponding light-induced dipole forces. In this work, we present a general theory to derive the potential experienced by an atom in a monochromatic laser field in a context analogous to the Born-Oppenheimer approximation for molecules in the field-free case. The formulation goes beyond the dipole approximation and gives rise to the field-atom coupling potential terms which so far have not been taken into consideration in theoretical or experimental studies. Contrary to conventional approaches, our method is based upon the many electron Floquet theory and remains valid also for high intensity laser fields (i.e., for a strongly nonperturbative atom-light interaction). As an illustration of the developed theory, we investigate the trapping of cold atoms in optical lattices. We find that for some atoms for specific laser parameters, despite the absence of the dipole force, the laser trapping is still possible due to the electric quadrupole forces. Namely, we show that by using realistic laser parameters one can form a quadrupole optical lattice which is sufficiently strong to trap Ca and Na atoms

  11. Stepping stability: effects of sensory perturbation

    Directory of Open Access Journals (Sweden)

    Krebs David E

    2005-05-01

    Full Text Available Abstract Background Few tools exist for quantifying locomotor stability in balance impaired populations. The objective of this study was to develop and evaluate a technique for quantifying stability of stepping in healthy people and people with peripheral (vestibular hypofunction, VH and central (cerebellar pathology, CB balance dysfunction by means a sensory (auditory perturbation test. Methods Balance impaired and healthy subjects performed a repeated bench stepping task. The perturbation was applied by suddenly changing the cadence of the metronome (100 beat/min to 80 beat/min at a predetermined time (but unpredictable by the subject during the trial. Perturbation response was quantified by computing the Euclidian distance, expressed as a fractional error, between the anterior-posterior center of gravity attractor trajectory before and after the perturbation was applied. The error immediately after the perturbation (Emax, error after recovery (Emin and the recovery response (Edif were documented for each participant, and groups were compared with ANOVA. Results Both balance impaired groups exhibited significantly higher Emax (p = .019 and Emin (p = .028 fractional errors compared to the healthy (HE subjects, but there were no significant differences between CB and VH groups. Although response recovery was slower for CB and VH groups compared to the HE group, the difference was not significant (p = .051. Conclusion The findings suggest that individuals with balance impairment have reduced ability to stabilize locomotor patterns following perturbation, revealing the fragility of their impairment adaptations and compensations. These data suggest that auditory perturbations applied during a challenging stepping task may be useful for measuring rehabilitation outcomes.

  12. Atoms in molecules, an axiomatic approach. I. Maximum transferability

    Science.gov (United States)

    Ayers, Paul W.

    2000-12-01

    Central to chemistry is the concept of transferability: the idea that atoms and functional groups retain certain characteristic properties in a wide variety of environments. Providing a completely satisfactory mathematical basis for the concept of atoms in molecules, however, has proved difficult. The present article pursues an axiomatic basis for the concept of an atom within a molecule, with particular emphasis devoted to the definition of transferability and the atomic description of Hirshfeld.

  13. Cosmological perturbations beyond linear order

    CERN Multimedia

    CERN. Geneva

    2013-01-01

    Cosmological perturbation theory is the standard tool to understand the formation of the large scale structure in the Universe. However, its degree of applicability is limited by the growth of the amplitude of the matter perturbations with time. This problem can be tackled with by using N-body simulations or analytical techniques that go beyond the linear calculation. In my talk, I'll summarise some recent efforts in the latter that ameliorate the bad convergence of the standard perturbative expansion. The new techniques allow better analytical control on observables (as the matter power spectrum) over scales very relevant to understand the expansion history and formation of structure in the Universe.

  14. Instabilities in mimetic matter perturbations

    Energy Technology Data Exchange (ETDEWEB)

    Firouzjahi, Hassan; Gorji, Mohammad Ali [School of Astronomy, Institute for Research in Fundamental Sciences (IPM), P.O. Box 19395-5531, Tehran (Iran, Islamic Republic of); Mansoori, Seyed Ali Hosseini, E-mail: firouz@ipm.ir, E-mail: gorji@ipm.ir, E-mail: shosseini@shahroodut.ac.ir, E-mail: shossein@ipm.ir [Physics Department, Shahrood University of Technology, P.O. Box 3619995161 Shahrood (Iran, Islamic Republic of)

    2017-07-01

    We study cosmological perturbations in mimetic matter scenario with a general higher derivative function. We calculate the quadratic action and show that both the kinetic term and the gradient term have the wrong sings. We perform the analysis in both comoving and Newtonian gauges and confirm that the Hamiltonians and the associated instabilities are consistent with each other in both gauges. The existence of instabilities is independent of the specific form of higher derivative function which generates gradients for mimetic field perturbations. It is verified that the ghost instability in mimetic perturbations is not associated with the higher derivative instabilities such as the Ostrogradsky ghost.

  15. Gauge-invariant perturbations in a spatially flat anisotropic universe

    International Nuclear Information System (INIS)

    Den, Mitsue.

    1986-12-01

    The gauge-invariant perturbations in a spatially flat anisotropic universe with an arbitrary dimension (= N) are studied. In a previous paper the equations for the perturbations with a wave vector k a in one of the axial directions were derived and their solutions were shown. In this paper the perturbations with k a in arbitrary directions are treated. The remarkable properties are that all three types (scalar, vector, and tensor) of perturbations are generally coupled, so that a density perturbation can be produced also by vector or tensor perturbations. The formulation is quite general, but the behavior of the perturbations is discussed in a simple case such that N = 4 and k a is orthogonal to one of the axial directions. In this case, the perturbations are divided into two groups which are dynamically decoupled from each other. The asymptotic behavior of the perturbations in the group containing the density perturbation is discussed. (author)

  16. Lattice regularized chiral perturbation theory

    International Nuclear Information System (INIS)

    Borasoy, Bugra; Lewis, Randy; Ouimet, Pierre-Philippe A.

    2004-01-01

    Chiral perturbation theory can be defined and regularized on a spacetime lattice. A few motivations are discussed here, and an explicit lattice Lagrangian is reviewed. A particular aspect of the connection between lattice chiral perturbation theory and lattice QCD is explored through a study of the Wess-Zumino-Witten term

  17. Output synchronization of chaotic systems under nonvanishing perturbations

    Energy Technology Data Exchange (ETDEWEB)

    Lopez-Mancilla, Didier [Departamento de Ciencias Exactas y Tecnologicas, Centro Universitario de los Lagos, Universidad de Guadalajara (CULagos-UdeG), Enrique Diaz de Leon s/n, 47460 Lagos de Moreno, Jal. (Mexico)], E-mail: didier@uabc.mx; Cruz-Hernandez, Cesar [Electronics and Telecommunications Department, Scientific Research and Advanced Studies of Ensenada (CICESE), Km. 107, Carretera Tijuana-Ensenada, 22860 Ensenada, B.C. (Mexico)], E-mail: ccruz@cicese.mx

    2008-08-15

    In this paper, an analysis for chaos synchronization under nonvanishing perturbations is presented. In particular, we use model-matching approach from nonlinear control theory for output synchronization of identical and nonidentical chaotic systems under nonvanishing perturbations in a master-slave configuration. We show that the proposed approach is indeed suitable to synchronize a class of perturbed slaves with a chaotic master system; that is the synchronization error trajectories remain bounded if the perturbations satisfy some conditions. In order to illustrate this robustness synchronization property, we present two cases of study: (i) for identical systems, a pair of coupled Roessler systems, the first like a master and the other like a perturbed slave, and (ii) for nonidentical systems, a Chua's circuit driving a Roessler/slave system with a perturbed control law, in both cases a quantitative analysis on the perturbation is included.

  18. Output synchronization of chaotic systems under nonvanishing perturbations

    International Nuclear Information System (INIS)

    Lopez-Mancilla, Didier; Cruz-Hernandez, Cesar

    2008-01-01

    In this paper, an analysis for chaos synchronization under nonvanishing perturbations is presented. In particular, we use model-matching approach from nonlinear control theory for output synchronization of identical and nonidentical chaotic systems under nonvanishing perturbations in a master-slave configuration. We show that the proposed approach is indeed suitable to synchronize a class of perturbed slaves with a chaotic master system; that is the synchronization error trajectories remain bounded if the perturbations satisfy some conditions. In order to illustrate this robustness synchronization property, we present two cases of study: (i) for identical systems, a pair of coupled Roessler systems, the first like a master and the other like a perturbed slave, and (ii) for nonidentical systems, a Chua's circuit driving a Roessler/slave system with a perturbed control law, in both cases a quantitative analysis on the perturbation is included

  19. Reemission spectra and inelastic processes at interaction of attosecond and shorter duration electromagnetic pulses with atoms

    International Nuclear Information System (INIS)

    Makarov, D.N.; Matveev, V.I.

    2017-01-01

    Inelastic processes and the reemission of attosecond and shorter electromagnetic pulses by atoms have been considered within the analytical solution of the Schrödinger equation in the sudden perturbation approximation. A method of calculations with the exact inclusion of spatial inhomogeneity of the field of an ultrashort pulse and the momenta of photons in the reemission processes has been developed. The probabilities of inelastic processes and spectra of reemission of ultrashort electromagnetic pulses by one- and many-electron atoms have been calculated. The results have been presented in the form of analytical formulas.

  20. Two-body perturbation theory versus first order perturbation theory: A comparison based on the square-well fluid.

    Science.gov (United States)

    Mercier Franco, Luís Fernando; Castier, Marcelo; Economou, Ioannis G

    2017-12-07

    We show that the Zwanzig first-order perturbation theory can be obtained directly from a truncated Taylor series expansion of a two-body perturbation theory and that such truncation provides a more accurate prediction of thermodynamic properties than the full two-body perturbation theory. This unexpected result is explained by the quality of the resulting approximation for the fluid radial distribution function. We prove that the first-order and the two-body perturbation theories are based on different approximations for the fluid radial distribution function. To illustrate the calculations, the square-well fluid is adopted. We develop an analytical expression for the two-body perturbed Helmholtz free energy for the square-well fluid. The equation of state obtained using such an expression is compared to the equation of state obtained from the first-order approximation. The vapor-liquid coexistence curve and the supercritical compressibility factor of a square-well fluid are calculated using both equations of state and compared to Monte Carlo simulation data. Finally, we show that the approximation for the fluid radial distribution function given by the first-order perturbation theory provides closer values to the ones calculated via Monte Carlo simulations. This explains why such theory gives a better description of the fluid thermodynamic behavior.

  1. Assessing the stability of free-energy perturbation calculations by performing variations in the method

    Science.gov (United States)

    Manzoni, Francesco; Ryde, Ulf

    2018-03-01

    We have calculated relative binding affinities for eight tetrafluorophenyl-triazole-thiogalactoside inhibitors of galectin-3 with the alchemical free-energy perturbation approach. We obtain a mean absolute deviation from experimental estimates of only 2-3 kJ/mol and a correlation coefficient (R 2) of 0.5-0.8 for seven relative affinities spanning a range of up to 11 kJ/mol. We also studied the effect of using different methods to calculate the charges of the inhibitor and different sizes of the perturbed group (the atoms that are described by soft-core potentials and are allowed to have differing coordinates). However, the various approaches gave rather similar results and it is not possible to point out one approach as consistently and significantly better than the others. Instead, we suggest that such small and reasonable variations in the computational method can be used to check how stable the calculated results are and to obtain a more accurate estimate of the uncertainty than if performing only one calculation with a single computational setup.

  2. Atomic-scale dislocation dynamics in radiation damage environment

    International Nuclear Information System (INIS)

    Osetsky, Y.; Stoller, R.; Bacon, D.J.

    2007-01-01

    Full text of publication follows: The dynamics behavior of dislocations determines mechanical properties of crystalline materials. Long-range interactions between a moving dislocation and other defects can be treated within a continuum approach via interaction of their stress and strain fields. However, a vast contribution to mechanical properties depends on the direct interaction between dislocations and other defects and depends very much on the particular atomic scale structure of the both moving dislocation core and the obstacle. In this work we review recent progress in large-scale modeling of dislocation dynamics in metals at the atomic level by molecular dynamics and statics. We review the modem techniques used to simulate dynamics of dislocations in different lattice structures, the dependence on temperature, strain rate and obstacle size. Examples are given for bcc, fcc and hcp metals where edge and screw dislocations interact with vacancy (loops, voids, stacking fault tetrahedra, etc), self-interstitial clusters and secondary phase precipitates. Attention is paid to interpretation of atomistic results from the point of view of parameterization of continuum models. The latter is vitally necessary for further application in 3-dimensional dislocation dynamics within the multi-scale materials modeling approach. Research sponsored by the Division of Materials Sciences and Engineering and the Office of Fusion Energy Sciences, U.S. Department of Energy, under contract DE-AC0S-00OR22725 with UT-Battelle, LLC. (authors)

  3. Proposed general amendments to the atomic energy control regulations

    International Nuclear Information System (INIS)

    1986-01-01

    Canada's Atomic Energy Control Act defines the powers and responsibilities of the Atomic Energy Control Board (AECB). Among these is to make regulations to control the development, application and use of atomic energy. In these proposed general amendments to the Atomic Energy Control Regulations substantial changes are proposed in the designation of the authority of AECB staff, exemptions from licensing, international safeguards, duties of licensees and atomic radiation workers, security of information, and provision for hearings. The scope of the control of atomic energy has been redefined as relating to matters of health, safety, security, international safeguards, and the protection of the environment

  4. Isocurvature perturbations in the Ekpyrotic Universe

    International Nuclear Information System (INIS)

    Notari, A.; Riotto, A.

    2002-01-01

    The Ekpyrotic scenario assumes that our visible Universe is a boundary brane in a five-dimensional bulk and that the hot Big Bang occurs when a nearly supersymmetric five-brane travelling along the fifth dimension collides with our visible brane. We show that the generation of isocurvature perturbations is a generic prediction of the Ekpyrotic Universe. This is due to the interactions in the kinetic terms between the brane modulus parameterizing the position of the five-brane in the bulk and the dilaton and volume moduli. We show how to separate explicitly the adiabatic and isocurvature modes by performing a rotation in field space. Our results indicate that adiabatic and isocurvature perturbations might be cross-correlated and that curvature perturbations might be entirely seeded by isocurvature perturbations

  5. Tip Effect of the Tapping Mode of Atomic Force Microscope in Viscous Fluid Environments.

    Science.gov (United States)

    Shih, Hua-Ju; Shih, Po-Jen

    2015-07-28

    Atomic force microscope with applicable types of operation in a liquid environment is widely used to scan the contours of biological specimens. The contact mode of operation allows a tip to touch a specimen directly but sometimes it damages the specimen; thus, a tapping mode of operation may replace the contact mode. The tapping mode triggers the cantilever of the microscope approximately at resonance frequencies, and so the tip periodically knocks the specimen. It is well known that the cantilever induces extra liquid pressure that leads to drift in the resonance frequency. Studies have noted that the heights of protein surfaces measured via the tapping mode of an atomic force microscope are ~25% smaller than those measured by other methods. This discrepancy may be attributable to the induced superficial hydrodynamic pressure, which is worth investigating. In this paper, we introduce a semi-analytical method to analyze the pressure distribution of various tip geometries. According to our analysis, the maximum hydrodynamic pressure on the specimen caused by a cone-shaped tip is ~0.5 Pa, which can, for example, pre-deform a cell by several nanometers in compression before the tip taps it. Moreover, the pressure calculated on the surface of the specimen is 20 times larger than the pressure without considering the tip effect; these results have not been motioned in other papers. Dominating factors, such as surface heights of protein surface, mechanical stiffness of protein increasing with loading velocity, and radius of tip affecting the local pressure of specimen, are also addressed in this study.

  6. Neutron spectrum perturbations due to scattering materials and their effect on the average neutron energy, the spectral index, and the hardness parameter

    International Nuclear Information System (INIS)

    Wright, H.L.; Meason, J.L.; Wolf, M.; Harvey, J.T.

    1976-01-01

    Measurements have been performed on the perturbing effect of a number of scattering materials by the 'free-field' neutron leakage spectrum from a Godiva Type Critical Assembly (White Sands Missile Range Fast Burst Reactor). The results of these measurements are interpreted in relation to some of the general parameters characterizing a neutron environment, namely, the average neutron energy >10 KeV, the spectral index and the hardness parameter. Three neutron spectrum measurements have been performed, each under different experimental configurations of scattering materials. Results from these measurements show the following with relation to the spectral index: (1) The neutron environment on the core surface and at 12-inches from the core surface (free-field) yield a spectral index of 6.8, (2) The neutron environment behind a 4.75-inch Plexiglas plate yield 4.6 for the spectral index and (3) The neutron environment behind a 2-inch aluminum plate yield 6.7 for the spectral index. It is concluded that the core surface and the 12-inch from core surface neutron environment are identical with the 'free-field' neutron environment at 20-inches when considering only those neutrons with energy >10 KeV. On the other hand, it appears that the 4.75 inches of Plexiglas severely perturbs the 'free-field' neutron environment, i.e., a much harder neutron spectrum >10 KeV. In the situation where 2-inches of aluminum is used as the perturbing medium, essentially no change in the neutron spectrum >10 KeV is noted

  7. The causality problem in atomic physics

    International Nuclear Information System (INIS)

    Bor, N.

    1985-01-01

    The casuality problem in atomic physics is analysed by Bohr in a wide methodological context. The first part of the paper is a short historical essay picturing the entry of statistical concepts into physics. Bohr underlines a close relationship between an unavoidably probabilitic nature of the quantum theory and quantum postulates introducing the alien-to-classical-physics concepts of integrity, individuality of atomic processes. In the second central part of the paper Bohr discusses the casuality problems in atomic physics in detail and shows that their solution requires a careful analysis of the observation process. Proceeding from the program methodological requirement to describe the measuring instrumentation operation and observation results in the language of classical physics, he explains that the statistical character of the uncertainty relationships expresses a substantial specifically quantum constraint to the applicifically of classical conceptions analyses of microphenomena. Then Bohr refines in principle the notion ''phenomenon'', as one of the central notions among those he employed for the formulation of his complementarity principle. According to bohr a phenomenon should be under-stood as an unambiguously present situation of a completed experiment. Therefore, it is erroneous to speak of the phenomenon perturbation by the observation. The final part of the article deals with the discussion of methodological parallels of the quantum theory and relativity theory

  8. Effect of heavy atoms on photochemically induced dynamic nuclear polarization in liquids

    Science.gov (United States)

    Okuno, Yusuke; Cavagnero, Silvia

    2018-01-01

    Given its short hyperpolarization time (∼10-6 s) and mostly non-perturbative nature, photo-chemically induced dynamic nuclear polarization (photo-CIDNP) is a powerful tool for sensitivity enhancement in nuclear magnetic resonance. In this study, we explore the extent of 1H-detected 13C nuclear hyperpolarization that can be gained via photo-CIDNP in the presence of small-molecule additives containing a heavy atom. The underlying rationale for this methodology is the well-known external-heavy-atom (EHA) effect, which leads to significant enhancements in the intersystem-crossing rate of selected photosensitizer dyes from photoexcited singlet to triplet. We exploited the EHA effect upon addition of moderate amounts of halogen-atom-containing cosolutes. The resulting increase in the transient triplet-state population of the photo-CIDNP sensitizer fluorescein resulted in a significant increase in the nuclear hyperpolarization achievable via photo-CIDNP in liquids. We also explored the internal-heavy-atom (IHA) effect, which is mediated by halogen atoms covalently incorporated into the photosensitizer dye. Widely different outcomes were achieved in the case of EHA and IHA, with EHA being largely preferable in terms of net hyperpolarization.

  9. Continual integral in perturbation theory

    International Nuclear Information System (INIS)

    Slavnov, A.A.

    1975-01-01

    It is shown that all results obtained by means of continual integration within the framework of perturbation theory are completely equivalent to those obtained by the usual diagram technique and are therfore just as rigorous. A rigorous justification is given for the rules for operating with continual integrals in perturbation theory. (author)

  10. Single atom spectroscopy: Decreased scattering delocalization at high energy losses, effects of atomic movement and X-ray fluorescence yield.

    Science.gov (United States)

    Tizei, Luiz H G; Iizumi, Yoko; Okazaki, Toshiya; Nakanishi, Ryo; Kitaura, Ryo; Shinohara, Hisanori; Suenaga, Kazu

    2016-01-01

    Single atom localization and identification is crucial in understanding effects which depend on the specific local environment of atoms. In advanced nanometer scale materials, the characteristics of individual atoms may play an important role. Here, we describe spectroscopic experiments (electron energy loss spectroscopy, EELS, and Energy Dispersed X-ray spectroscopy, EDX) using a low voltage transmission electron microscope designed towards single atom analysis. For EELS, we discuss the advantages of using lower primary electron energy (30 keV and 60 keV) and higher energy losses (above 800 eV). The effect of atomic movement is considered. Finally, we discuss the possibility of using atomically resolved EELS and EDX data to measure the fluorescence yield for X-ray emission. Copyright © 2015 Elsevier B.V. All rights reserved.

  11. Atomic physics through astrophysics

    International Nuclear Information System (INIS)

    Dalgarno, A.

    1987-01-01

    Astronomical environments encompass an extreme range of physical conditions of temperature, density, pressure and radiation fields and unusual situations abound. In this lecture, the author describes some of the objects found in the Universe and discussed the atomic processes that occur. 45 references, 8 figures

  12. Using variance structure to quantify responses to perturbation in fish catches

    Science.gov (United States)

    Vidal, Tiffany E.; Irwin, Brian J.; Wagner, Tyler; Rudstam, Lars G.; Jackson, James R.; Bence, James R.

    2017-01-01

    We present a case study evaluation of gill-net catches of Walleye Sander vitreus to assess potential effects of large-scale changes in Oneida Lake, New York, including the disruption of trophic interactions by double-crested cormorants Phalacrocorax auritus and invasive dreissenid mussels. We used the empirical long-term gill-net time series and a negative binomial linear mixed model to partition the variability in catches into spatial and coherent temporal variance components, hypothesizing that variance partitioning can help quantify spatiotemporal variability and determine whether variance structure differs before and after large-scale perturbations. We found that the mean catch and the total variability of catches decreased following perturbation but that not all sampling locations responded in a consistent manner. There was also evidence of some spatial homogenization concurrent with a restructuring of the relative productivity of individual sites. Specifically, offshore sites generally became more productive following the estimated break point in the gill-net time series. These results provide support for the idea that variance structure is responsive to large-scale perturbations; therefore, variance components have potential utility as statistical indicators of response to a changing environment more broadly. The modeling approach described herein is flexible and would be transferable to other systems and metrics. For example, variance partitioning could be used to examine responses to alternative management regimes, to compare variability across physiographic regions, and to describe differences among climate zones. Understanding how individual variance components respond to perturbation may yield finer-scale insights into ecological shifts than focusing on patterns in the mean responses or total variability alone.

  13. Kato expansion in quantum canonical perturbation theory

    International Nuclear Information System (INIS)

    Nikolaev, Andrey

    2016-01-01

    This work establishes a connection between canonical perturbation series in quantum mechanics and a Kato expansion for the resolvent of the Liouville superoperator. Our approach leads to an explicit expression for a generator of a block-diagonalizing Dyson’s ordered exponential in arbitrary perturbation order. Unitary intertwining of perturbed and unperturbed averaging superprojectors allows for a description of ambiguities in the generator and block-diagonalized Hamiltonian. We compare the efficiency of the corresponding computational algorithm with the efficiencies of the Van Vleck and Magnus methods for high perturbative orders.

  14. Kato expansion in quantum canonical perturbation theory

    Energy Technology Data Exchange (ETDEWEB)

    Nikolaev, Andrey, E-mail: Andrey.Nikolaev@rdtex.ru [Institute of Computing for Physics and Technology, Protvino, Moscow Region, Russia and RDTeX LTD, Moscow (Russian Federation)

    2016-06-15

    This work establishes a connection between canonical perturbation series in quantum mechanics and a Kato expansion for the resolvent of the Liouville superoperator. Our approach leads to an explicit expression for a generator of a block-diagonalizing Dyson’s ordered exponential in arbitrary perturbation order. Unitary intertwining of perturbed and unperturbed averaging superprojectors allows for a description of ambiguities in the generator and block-diagonalized Hamiltonian. We compare the efficiency of the corresponding computational algorithm with the efficiencies of the Van Vleck and Magnus methods for high perturbative orders.

  15. Rydberg atoms in weak magnetic fields

    International Nuclear Information System (INIS)

    Kazantsev, A.P.; Pokrovsky, V.L.; Bergou, J.

    1983-01-01

    The quadratic Zeeman effect of Rydberg atoms in the framework of perturbation theory is dealt with and a special quasiclassical approximation scheme is applied. The Bohr-Sommerfeld quantization condition is given in terms of complete elliptic integrals. It is shown that part of the spectrum is doubly degenerate, the corresponding states are asymmetric with respect to the Coulomb centre and have a non-zero dipole moment; the rest of the spectrum is nondegenerate, the states are symmetric and their dipole-moment vanishes. The transition from the symmetric to the asymmetric region is similar to a phase transition and it gives an experimental possibility to distinguish between the two types of states. (author)

  16. Self-organized perturbations enhance class IV behavior and 1/f power spectrum in elementary cellular automata.

    Science.gov (United States)

    Nakajima, Kohei; Haruna, Taichi

    2011-09-01

    In this paper, we propose a new class of cellular automata based on the modification of its state space. It is introduced to model a computation which is exposed to an environment. We formalized the computation as extension and projection processes of its state space and resulting misidentifications of the state. This is motivated to embed the role of an environment into the system itself, which naturally induces self-organized internal perturbations rather than the usual external perturbations. Implementing this structure into the elementary cellular automata, we characterized its effect by means of input entropy and power spectral analysis. As a result, the cellular automata with this structure showed robust class IV behavior and a 1/f power spectrum in a wide range of rule space comparative to the notion of the edge of chaos. Copyright © 2011 Elsevier Ireland Ltd. All rights reserved.

  17. Strings as perturbations of evolving spin networks

    International Nuclear Information System (INIS)

    Smolin, Lee

    2000-01-01

    One step in the construction of a background independent formulation of string theory is detailed, in which it is shown how perturbative strings may arise as small fluctuations around histories in a formulation of non-perturbative dynamics of spin networks due to Markopoulou. In this formulation the dynamics of spin network states and their generalizations is described in terms of histories which have discrete analogues of the causal structure and many fingered time of Lorentzian spacetimes. Perturbations of these histories turn out to be described in terms of spin systems defined on 2-dimensional timelike surfaces embedded in the discrete spacetime. When the history has a classical limit which is Minkowski spacetime, the action of the perturbation theory is given to leading order by the spacetime area of the surface, as in bosonic string theory. This map between a non-perturbative formulation of quantum gravity and a 1+1 dimensional theory generalizes to a large class of theories in which the group SU(2) i s extended to any quantum group or supergroup. It is argued that a necessary condition for the non-perturbative theory to have a good classical limit is that the resulting 1+1 dimensional theory defines a consistent and stable perturbative string theory

  18. Acoustic anisotropic wavefields through perturbation theory

    KAUST Repository

    Alkhalifah, Tariq Ali

    2013-09-01

    Solving the anisotropic acoustic wave equation numerically using finite-difference methods introduces many problems and media restriction requirements, and it rarely contributes to the ability to resolve the anisotropy parameters. Among these restrictions are the inability to handle media with η<0 and the presence of shear-wave artifacts in the solution. Both limitations do not exist in the solution of the elliptical anisotropic acoustic wave equation. Using perturbation theory in developing the solution of the anisotropic acoustic wave equation allows direct access to the desired limitation-free solutions, that is, solutions perturbed from the elliptical anisotropic background medium. It also provides a platform for parameter estimation because of the ability to isolate the wavefield dependency on the perturbed anisotropy parameters. As a result, I derive partial differential equations that relate changes in the wavefield to perturbations in the anisotropy parameters. The solutions of the perturbation equations represented the coefficients of a Taylor-series-type expansion of the wavefield as a function of the perturbed parameter, which is in this case η or the tilt of the symmetry axis. The expansion with respect to the symmetry axis allows use of an acoustic transversely isotropic media with a vertical symmetry axis (VTI) kernel to estimate the background wavefield and the corresponding perturbation coefficients. The VTI extrapolation kernel is about one-fourth the cost of the transversely isotropic model with a tilt in the symmetry axis kernel. Thus, for a small symmetry axis tilt, the cost of migration using a first-order expansion can be reduced. The effectiveness of the approach was demonstrated on the Marmousi model.

  19. Perturbations of higher-dimensional spacetimes

    Energy Technology Data Exchange (ETDEWEB)

    Durkee, Mark; Reall, Harvey S, E-mail: M.N.Durkee@damtp.cam.ac.uk, E-mail: H.S.Reall@damtp.cam.ac.uk [DAMTP, Centre for Mathematical Sciences, University of Cambridge, Wilberforce Road, Cambridge, CB3 0WA (United Kingdom)

    2011-02-07

    We discuss linearized gravitational perturbations of higher-dimensional spacetimes. For algebraically special spacetimes (e.g. Myers-Perry black holes), we show that there exist local gauge invariant quantities linear in the metric perturbation. These are the higher-dimensional generalizations of the 4D Newman-Penrose scalars that (in an algebraically special vacuum spacetime) satisfy decoupled equations of motion. We show that decoupling occurs in more than four dimensions if, and only if, the spacetime admits a null geodesic congruence with vanishing expansion, rotation and shear. Decoupling of electromagnetic perturbations occurs under the same conditions. Although these conditions are not satisfied in black hole spacetimes, they are satisfied in the near-horizon geometry of an extreme black hole.

  20. Application of linear and higher perturbation theory in reactor physics

    International Nuclear Information System (INIS)

    Woerner, D.

    1978-01-01

    For small perturbations in the material composition of a reactor according to the first approximation of perturbation theory the eigenvalue perturbation is proportional to the perturbation of the system. This assumption is true for the neutron flux not influenced by the perturbance. The two-dimensional code LINESTO developed for such problems in this paper on the basis of diffusion theory determines the relative change of the multiplication constant. For perturbations varying the neutron flux in the space of energy and position the eigenvalue perturbation is also influenced by this changed neutron flux. In such cases linear perturbation theory yields larger errors. Starting from the methods of calculus of variations there is additionally developed in this paper a perturbation method of calculation permitting in a quick and simple manner to assess the influence of flux perturbation on the eigenvalue perturbation. While the source of perturbations is evaluated in isotropic approximation of diffusion theory the associated inhomogeneous equation may be used to determine the flux perturbation by means of diffusion or transport theory. Possibilities of application and limitations of this method are studied in further systematic investigations on local perturbations. It is shown that with the integrated code system developed in this paper a number of local perturbations may be checked requiring little computing time. With it flux perturbations in first approximation and perturbations of the multiplication constant in second approximation can be evaluated. (orig./RW) [de

  1. 't Hooft loops and perturbation theory

    CERN Document Server

    De Forcrand, Philippe; Noth, D; Forcrand, Philippe de; Lucini, Biagio; Noth, David

    2005-01-01

    We show that high-temperature perturbation theory describes extremely well the area law of SU(N) spatial 't Hooft loops, or equivalently the tension of the interface between different Z_N vacua in the deconfined phase. For SU(2), the disagreement between Monte Carlo data and lattice perturbation theory for sigma(T)/T^2 is less than 2%, down to temperatures O(10) T_c. For SU(N), N>3, the ratios of interface tensions, (sigma_k/sigma_1)(T), agree with perturbation theory, which predicts tiny deviations from the ratio of Casimirs, down to nearly T_c. In contrast, individual tensions differ markedly from the perturbative expression. In all cases, the required precision Monte Carlo measurements are made possible by a simple but powerful modification of the 'snake' algorithm.

  2. Perturbed Communication in a Virtual Environment to Train Medical Team Leaders

    OpenAIRE

    Huguet , Lauriane; Lourdeaux , Domitile; Sabouret , Nicolas; Ferrer , Marie-Hélène

    2016-01-01

    International audience; The VICTEAMS project aims at designing a virtual environment for training medical team leaders to non-technical skills. The virtual environment ispopulated with autonomous virtual agents who are able to make mistakes (in action or communication) in order to train rescue team leaders and to make them adaptive with all kinds of situations or teams.

  3. Propagation of Ion Acoustic Perturbations

    DEFF Research Database (Denmark)

    Pécseli, Hans

    1975-01-01

    Equations describing the propagation of ion acoustic perturbations are considered, using the assumption that the electrons are Boltzman distributed and isothermal at all times. Quasi-neutrality is also considered.......Equations describing the propagation of ion acoustic perturbations are considered, using the assumption that the electrons are Boltzman distributed and isothermal at all times. Quasi-neutrality is also considered....

  4. EDITORIAL: Non-linear and non-Gaussian cosmological perturbations Non-linear and non-Gaussian cosmological perturbations

    Science.gov (United States)

    Sasaki, Misao; Wands, David

    2010-06-01

    In recent years there has been a resurgence of interest in the study of non-linear perturbations of cosmological models. This has been the result of both theoretical developments and observational advances. New theoretical challenges arise at second and higher order due to mode coupling and the need to develop new gauge-invariant variables beyond first order. In particular, non-linear interactions lead to deviations from a Gaussian distribution of primordial perturbations even if initial vacuum fluctuations are exactly Gaussian. These non-Gaussianities provide an important probe of models for the origin of structure in the very early universe. We now have a detailed picture of the primordial distribution of matter from surveys of the cosmic microwave background, notably NASA's WMAP satellite. The situation will continue to improve with future data from the ESA Planck satellite launched in 2009. To fully exploit these data cosmologists need to extend non-linear cosmological perturbation theory beyond the linear theory that has previously been sufficient on cosmological scales. Another recent development has been the realization that large-scale structure, revealed in high-redshift galaxy surveys, could also be sensitive to non-linearities in the primordial curvature perturbation. This focus section brings together a collection of invited papers which explore several topical issues in this subject. We hope it will be of interest to theoretical physicists and astrophysicists alike interested in understanding and interpreting recent developments in cosmological perturbation theory and models of the early universe. Of course it is only an incomplete snapshot of a rapidly developing field and we hope the reader will be inspired to read further work on the subject and, perhaps, fill in some of the missing pieces. This focus section is dedicated to the memory of Lev Kofman (1957-2009), an enthusiastic pioneer of inflationary cosmology and non-Gaussian perturbations.

  5. Fundamental Interactions for Atom Interferometry with Ultracold Quantum Gases in a Microgravity Environment

    Science.gov (United States)

    D'Incao, Jose P.; Willians, Jason R.

    2015-05-01

    Precision atom interferometers (AI) in space are a key element for several applications of interest to NASA. Our proposal for participating in the Cold Atom Laboratory (CAL) onboard the International Space Station is dedicated to mitigating the leading-order systematics expected to corrupt future high-precision AI-based measurements of fundamental physics in microgravity. One important focus of our proposal is to enhance initial state preparation for dual-species AIs. Our proposed filtering scheme uses Feshbach molecular states to create highly correlated mixtures of heteronuclear atomic gases in both their position and momentum distributions. We will detail our filtering scheme along with the main factors that determine its efficiency. We also show that the atomic and molecular heating and loss rates can be mitigated at the unique temperature and density regimes accessible on CAL. This research is supported by the National Aeronautics and Space Administration.

  6. Dissipative motion perturbation theory and exact solutions

    International Nuclear Information System (INIS)

    Lodder, J.J.

    1976-06-01

    Dissipative motion of classical and quantum systems is described. In particular, attention is paid to systems coupled to the radiation field. A dissipative equation of motion for a particle in an arbitrary potential coupled to the radiation field is derived by means of perturbation theory. The usual divrgencies associated with the radiation field are eliminated by the application of a theory of generalized functions. This theory is developed as a subject in its own right and is presented independently. The introduction of classical zero-point energy makes the classical equa tion of motion for the phase density formally the same as its quantum counterpart. In particular, it is shown that the classical zero-point energy prevents the collapse of a classical H-atom and gives rise to a classical ground state. For systems with a quadratic Hamiltoian, the equation of motion can be solved exactly, even in the continuum limit for the radiation field, by means of the new generalized functions. Classically, the Fokker-Planck equation is found without any approximations, and quantum mechanically, the only approximation is the neglect of the change in the ground state caused by the interaction. The derivation is valid even for strong damping and arbitrarily short times. There is no transient time. For harmonic oscillators complete equivalence is shown to exist between quantum mechanics and classical mechanics with zero-point energy. A discussion of the derivation of the Pauli equation is given and perturbation theory is compared with the exact derivation. The exactly solvable models are used to calculate the Langevin force of the radiation field. The result is that the classical Langevin force is exactly delta-correlated, while the quantum Langevin force is not delta-correlated at all. The fluctuation-dissipation theorem is shown to be an exact consequence of the solution to the equations of motion

  7. To the question(point):The possibilities of material dept modification by Low-energy atom and ion flow

    International Nuclear Information System (INIS)

    Margaev, D.V.

    1998-01-01

    In this paper the author tried to explain originally and untraditionally the processes that come out as a result of deposition and atom implantation into solid.The author tried to attract young researchers (scientists) attention to the possibilities of stimulation of these processes by electromagnet perturbation in wide frequency range

  8. Gaining insight into the physics of dynamic atomic force microscopy in complex environments using the VEDA simulator

    Science.gov (United States)

    Kiracofe, Daniel; Melcher, John; Raman, Arvind

    2012-01-01

    Dynamic atomic force microscopy (dAFM) continues to grow in popularity among scientists in many different fields, and research on new methods and operating modes continues to expand the resolution, capabilities, and types of samples that can be studied. But many promising increases in capability are accompanied by increases in complexity. Indeed, interpreting modern dAFM data can be challenging, especially on complicated material systems, or in liquid environments where the behavior is often contrary to what is known in air or vacuum environments. Mathematical simulations have proven to be an effective tool in providing physical insight into these non-intuitive systems. In this article we describe recent developments in the VEDA (virtual environment for dynamic AFM) simulator, which is a suite of freely available, open-source simulation tools that are delivered through the cloud computing cyber-infrastructure of nanoHUB (www.nanohub.org). Here we describe three major developments. First, simulations in liquid environments are improved by enhancements in the modeling of cantilever dynamics, excitation methods, and solvation shell forces. Second, VEDA is now able to simulate many new advanced modes of operation (bimodal, phase-modulation, frequency-modulation, etc.). Finally, nineteen different tip-sample models are available to simulate the surface physics of a wide variety different material systems including capillary, specific adhesion, van der Waals, electrostatic, viscoelasticity, and hydration forces. These features are demonstrated through example simulations and validated against experimental data, in order to provide insight into practical problems in dynamic AFM.

  9. Perturbation methods for power and reactivity reconstruction

    International Nuclear Information System (INIS)

    Palmiotti, G.; Salvatores, M.; Estiot, J.C.; Broccoli, U.; Bruna, G.; Gomit, J.M.

    1987-01-01

    This paper deals with recent developments and applications in perturbation methods. Two types of methods are used. The first one is an explicit method, which allows the explicit reconstruction of a perturbed flux using a linear combination of a library of functions. In our application, these functions are the harmonics (i.e. the high order eigenfunctions of the system). The second type is based on the Generalized Perturbation Theory GPT and needs the calculation of an importance function for each integral parameter of interest. Recent developments of a particularly useful high order formulation allows to obtain satisfactory results also for very large perturbations

  10. On adiabatic perturbations in the ekpyrotic scenario

    International Nuclear Information System (INIS)

    Linde, A.; Mukhanov, V.; Vikman, A.

    2010-01-01

    In a recent paper, Khoury and Steinhardt proposed a way to generate adiabatic cosmological perturbations with a nearly flat spectrum in a contracting Universe. To produce these perturbations they used a regime in which the equation of state exponentially rapidly changed during a short time interval. Leaving aside the singularity problem and the difficult question about the possibility to transmit these perturbations from a contracting Universe to the expanding phase, we will show that the methods used in Khoury are inapplicable for the description of the cosmological evolution and of the process of generation of perturbations in this scenario

  11. Application of functional analysis to perturbation theory of differential equations. [nonlinear perturbation of the harmonic oscillator

    Science.gov (United States)

    Bogdan, V. M.; Bond, V. B.

    1980-01-01

    The deviation of the solution of the differential equation y' = f(t, y), y(O) = y sub O from the solution of the perturbed system z' = f(t, z) + g(t, z), z(O) = z sub O was investigated for the case where f and g are continuous functions on I x R sup n into R sup n, where I = (o, a) or I = (o, infinity). These functions are assumed to satisfy the Lipschitz condition in the variable z. The space Lip(I) of all such functions with suitable norms forms a Banach space. By introducing a suitable norm in the space of continuous functions C(I), introducing the problem can be reduced to an equivalent problem in terminology of operators in such spaces. A theorem on existence and uniqueness of the solution is presented by means of Banach space technique. Norm estimates on the rate of growth of such solutions are found. As a consequence, estimates of deviation of a solution due to perturbation are obtained. Continuity of the solution on the initial data and on the perturbation is established. A nonlinear perturbation of the harmonic oscillator is considered a perturbation of equations of the restricted three body problem linearized at libration point.

  12. Generation of Bell, NOON and W states via atom interferometry

    Energy Technology Data Exchange (ETDEWEB)

    Islam, Rameez-ul; Saif, Farhan [Department of Electronics, Quaid-i-Azam University, Islamabad (Pakistan); Khosa, Ashfaq H [Centre for Quantum Physics, COMSATS Institute of Information Technology, Islamabad (Pakistan)

    2008-02-14

    We propose atom interferometric techniques for the generation of Bell, NOON and W states of an electromagnetic field in high-Q cavities. The fundamental constituent of these techniques is off-resonant Bragg diffraction of atomic de Broglie waves. We show good success probabilities for these schemes under the currently available experimental environment of atom interferometry.

  13. Calculation of the electric potential around two identical atoms or ions

    International Nuclear Information System (INIS)

    Salzmann, D.

    1994-01-01

    Problems of diatomic molecules and atom-atom collisions, in which two identical atoms take part, or nearest-neighbor interactions in hot plasmas require the computations of the electric potential and the electron charge distribution around such a two-centered object. The electric potential around two such identical atoms or ions fulfills special symmetry conditions. These symmetries include a cylindrical symmetry around the line connecting the centers of the two atoms and a reflection symmetry around the plane perpendicular to this line halfway between the two atoms. When the two atoms are far apart, the asymptotic behavior of the charge-state distribution and the potential are those of two separated isolated atoms each of which can be expanded into multipole components around its nucleus. We define a set of new functions T mk (y,y n ) Eq. (2.25), which connect the various multipole components of the electric potential to those of the electron charge distribution in such a two-identical-atom problem, and which take into account all the above symmetry conditions. The great advantage of these transformation functions is the fact that by accounting for the above symmetry conditions, the three-dimensional integration required for the computation of the local electric microfield directly from the Poisson equation is practically reduced to a one-dimensional one. It is shown that the use of these functions greatly reduces the complexity and computation times of problems in which two identical atoms are involved, particularly for high-Z atoms. Explicit exact formulas are given for the computation of the T mk functions. An example is given which illustrates the use of these functions in first-order perturbation theory. For this special class of problems the procedure presented here results in a closed recursive equation, in which the interatomic distance is the only free parameter

  14. A new atomization cell for trace metal determinations by tungsten coil atomic spectrometry

    Energy Technology Data Exchange (ETDEWEB)

    Donati, G.L., E-mail: georgedonati@yahoo.com.br [Department of Chemistry, Wake Forest University, Winston-Salem, NC 27109 (United States); Wildman, R.B.; Jones, B.T. [Department of Chemistry, Wake Forest University, Winston-Salem, NC 27109 (United States)

    2011-02-28

    A new metallic atomization cell is used for trace metal determinations by tungsten coil atomic absorption spectrometry and tungsten coil atomic emission spectrometry. Different protecting gas mixtures are evaluated to improve atomic emission signals. Ar, N{sub 2}, CO{sub 2} and He are used as solvents, and H{sub 2} and C{sub 2}H{sub 2} as solutes. A H{sub 2}/Ar mixture provided the best results. Parameters such as protecting gas flow rate and atomization current are also optimized. The optimal conditions are used to determine the figures of merit for both methods and the results are compared with values found in the literature. The new cell provides a better control of the radiation reaching the detector and a small, more isothermal environment around the atomizer. A more concentrated atomic cloud and a smaller background signal result in lower limits of detection using both methods. Cu (324.7 nm), Cd (228.8 nm) and Sn (286.3 nm) determined by tungsten coil atomic absorption spectrometry presented limits of detection as low as 0.6, 0.1, and 2.2 {mu}g L{sup -1}, respectively. For Cr (425.4 nm), Eu (459.4 nm) and Sr (460.7 nm) determined by tungsten coil atomic emission spectrometry, limits of detection of 4.5, 2.5, and 0.1 {mu}g L{sup -1} were calculated. The method is used to determine Cu, Cd, Cr and Sr in a water standard reference material. Results for Cu, Cd and Cr presented no significant difference from reported values in a 95% confidence level. For Sr, a 113% recovery was obtained.

  15. Atoms, Radiation, and Radiation Protection

    CERN Document Server

    Turner, James E

    2007-01-01

    Atoms, Radiation, and Radiation Protection offers professionals and advanced students a comprehensive coverage of the major concepts that underlie the origins and transport of ionizing radiation in matter. Understanding atomic structure and the physical mechanisms of radiation interactions is the foundation on which much of the current practice of radiological health protection is based. The work covers the detection and measurement of radiation and the statistical interpretation of the data. The procedures that are used to protect man and the environment from the potential harmful effects of

  16. Optical to ultraviolet spectra of sandwiches of benzene and transition metal atoms: Time dependent density functional theory and many-body calculations

    DEFF Research Database (Denmark)

    Martinez, Jose Ignacio; García Lastra, Juan Maria; Lopez, M. J.

    2010-01-01

    The optical spectra of sandwich clusters formed by transition metal atoms (titanium, vanadium, and chromium) intercalated between parallel benzene molecules have been studied by time-dependent density functional theory (TDDFT) and many-body perturbation theory. Sandwiches with different number...

  17. Crystallography and environment development

    International Nuclear Information System (INIS)

    Radwan, M.M.

    1992-01-01

    Crystallography, the study of atomic and molecular structure, has given detailed information about the fine-structure of the inorganic and living world-i.e. about the environment (in the widest sense of the world)-. It has contributed to geology (at the atomic level), crystal chemistry, the structure of minerals, soils and clays. In the case of the living world it has contributed to structural studies of biological molecules; proteins, nucleic acids (DNA and RNA), and polysaccharides. knowing how the atoms in a material are arranged allows to understand the relationship between atomic structure and properties of these materials. Today we are entering a new age in crystallography-the age of genetic engineering in the living world, and inorganic crystallographic engineering, where we use crystallographic information from the structures nature has given us, to begin to design and build structure of our own, of specified properties, aiming at the welfare of man and the development of his environment

  18. Analytic continuation in perturbative QCD

    International Nuclear Information System (INIS)

    Caprini, Irinel

    2002-01-01

    We discuss some attempts to improve standard perturbative expansion in QCD by using the analytic continuation in the momentum and the Borel complex planes. We first analyse the momentum-plane analyticity properties of the Borel-summed Green functions in perturbative QCD and the connection between the Landau singularities and the infrared renormalons. By using the analytic continuation in the Borel complex plane, we propose a new perturbative series replacing the standard expansion in powers of the normalized coupling constant a. The new expansion functions have branch point and essential singularities at the origin of the complex a-plane and divergent Taylor expansions in powers of a. On the other hand the modified expansion of the QCD correlators is convergent under rather conservative conditions. (author)

  19. Massive states in chiral perturbation theory

    Energy Technology Data Exchange (ETDEWEB)

    Mallik, S [Saha Inst. of Nuclear Physics, Calcutta (India)

    1995-08-01

    It is shown that the chiral nonanalytic terms generated by {Delta}{sub 33} resonance in the nucleon self-energy is reproduced in chiral perturbation theory by perturbing appropriate local operators contained in the pion-nucleon effective Lagrangian itself. (orig.)

  20. Laser Assisted Free-Free Transition in Electron - Atom Collision

    Science.gov (United States)

    Sinha, C.; Bhatia, A. K.

    2011-01-01

    Free-free transition is studied for electron-Hydrogen atom system in ground state at very low incident energies in presence of an external homogeneous, monochromatic and linearly polarized laser field. The incident electron is considered to be dressed by the laser in a non perturbative manner by choosing the Volkov solutions in both the channels. The space part of the scattering wave function for the electron is solved numerically by taking into account the effect of electron exchange, short range as well as of the long range interactions. Laser assisted differential as well as elastic total cross sections are calculated for single photon absorption/emission in the soft photon limit, the laser intensity being much less than the atomic field intensity. A strong suppression is noted in the laser assisted cross sections as compared to the field free situations. Significant difference is noted in the singlet and the triplet cross sections.

  1. Dichroism in the photoionisation of atoms at XUV free-electron lasers

    Energy Technology Data Exchange (ETDEWEB)

    Mazza, T., E-mail: tommaso.mazza@xfel.eu [European XFEL GmbH, Albert-Einstein-Ring 19, D-22761 Hamburg (Germany); Gryzlova, E.V.; Grum-Grzhimailo, A.N. [Skobeltsyn Institute of Nuclear Physics, Lomonosov Moscow State University, Moscow 119991 (Russian Federation); Kazansky, A.K. [Departamento de Fisica de Materiales, UPV/EHU, E-20018 San Sebastian/Donostia (Spain); IKERBASQUE, Basque Foundation for Science, E-48011 Bilbao (Spain); Donostia International Physics Center (DIPC), E-20018 San Sebastian/Donostia (Spain); Kabachnik, N.M. [European XFEL GmbH, Albert-Einstein-Ring 19, D-22761 Hamburg (Germany); Skobeltsyn Institute of Nuclear Physics, Lomonosov Moscow State University, Moscow 119991 (Russian Federation); Donostia International Physics Center (DIPC), E-20018 San Sebastian/Donostia (Spain); Meyer, M., E-mail: michael.meyer@xfel.eu [European XFEL GmbH, Albert-Einstein-Ring 19, D-22761 Hamburg (Germany)

    2015-10-15

    Highlights: • We studied 2-color photoionization of He by angle-resolved electron spectroscopy. • Beta-parameters contain information about the symmetry of outgoing electron waves. • Experiments are compared to strong field approximation and perturbation theory. • 2-Photon measurements can be used to characterize FEL radiation properties. • Non-dipole contributions are predicted to produce new features in the dichroism. - Abstract: Two-color photoionization of atomic He has been investigated by angle-integrated and angle-resolved electron spectroscopy. The combined action of intense radiation pulses from the XUV free-electron laser (FEL), FERMI or FLASH, and a synchronized optical laser on the target atom gives rise to a rich sideband structure in the photoemission spectrum. Measurements of the angular distribution parameters and the determination of the circular and linear dichroism for the two-color photoionization enable a detailed analysis of the symmetry of the outgoing electron waves and of the dynamics underlying the multi-photon processes. The experimental results are in excellent agreement with theoretical results obtained using perturbation theory (low intensity regime) and the strong field approximation. For the particular case of two-photon ionization the measurements represent an ideal tool for characterizing certain FEL parameters, here for example the degree and the sign of circular polarization. Finally, new features of the dichroism are theoretically predicted originating from the non-dipole contribution into the photoionization amplitudes.

  2. Atom-by-atom assembly

    International Nuclear Information System (INIS)

    Hla, Saw Wai

    2014-01-01

    Atomic manipulation using a scanning tunneling microscope (STM) tip enables the construction of quantum structures on an atom-by-atom basis, as well as the investigation of the electronic and dynamical properties of individual atoms on a one-atom-at-a-time basis. An STM is not only an instrument that is used to ‘see’ individual atoms by means of imaging, but is also a tool that is used to ‘touch’ and ‘take’ the atoms, or to ‘hear’ their movements. Therefore, the STM can be considered as the ‘eyes’, ‘hands’ and ‘ears’ of the scientists, connecting our macroscopic world to the exciting atomic world. In this article, various STM atom manipulation schemes and their example applications are described. The future directions of atomic level assembly on surfaces using scanning probe tips are also discussed. (review article)

  3. Geometry of perturbed Gaussian states and quantum estimation

    International Nuclear Information System (INIS)

    Genoni, Marco G; Giorda, Paolo; Paris, Matteo G A

    2011-01-01

    We address the non-Gaussianity (nG) of states obtained by weakly perturbing a Gaussian state and investigate the relationships with quantum estimation. For classical perturbations, i.e. perturbations to eigenvalues, we found that the nG of the perturbed state may be written as the quantum Fisher information (QFI) distance minus a term depending on the infinitesimal energy change, i.e. it provides a lower bound to statistical distinguishability. Upon moving on isoenergetic surfaces in a neighbourhood of a Gaussian state, nG thus coincides with a proper distance in the Hilbert space and exactly quantifies the statistical distinguishability of the perturbations. On the other hand, for perturbations leaving the covariance matrix unperturbed, we show that nG provides an upper bound to the QFI. Our results show that the geometry of non-Gaussian states in the neighbourhood of a Gaussian state is definitely not trivial and cannot be subsumed by a differential structure. Nevertheless, the analysis of perturbations to a Gaussian state reveals that nG may be a resource for quantum estimation. The nG of specific families of perturbed Gaussian states is analysed in some detail with the aim of finding the maximally non-Gaussian state obtainable from a given Gaussian one. (fast track communication)

  4. Reactivity of amino acid anions with nitrogen and oxygen atoms.

    Science.gov (United States)

    Wang, Zhe-Chen; Li, Ya-Ke; He, Sheng-Gui; Bierbaum, Veronica M

    2018-02-14

    For many decades, astronomers have searched for biological molecules, including amino acids, in the interstellar medium; this endeavor is important for investigating the hypothesis of the origin of life from space. The space environment is complex and atomic species, such as nitrogen and oxygen atoms, are widely distributed. In this work, the reactions of eight typical deprotonated amino acids (glycine, alanine, cysteine, proline, aspartic acid, histidine, tyrosine, and tryptophan) with ground state nitrogen and oxygen atoms are studied by experiment and theory. These amino acid anions do not react with nitrogen atoms. However, the reactions of these ions with oxygen atoms show an intriguing variety of ionic products and the reaction rate constants are of the order of 10 -10 cm 3 s -1 . Density functional calculations provide detailed mechanisms of the reactions, and demonstrate that spin conversion is essential for some processes. Our study provides important data and insights for understanding the kinetic and dynamic behavior of amino acids in space environments.

  5. Extended multi-configuration quasi-degenerate perturbation theory: the new approach to multi-state multi-reference perturbation theory.

    Science.gov (United States)

    Granovsky, Alexander A

    2011-06-07

    The distinctive desirable features, both mathematically and physically meaningful, for all partially contracted multi-state multi-reference perturbation theories (MS-MR-PT) are explicitly formulated. The original approach to MS-MR-PT theory, called extended multi-configuration quasi-degenerate perturbation theory (XMCQDPT), having most, if not all, of the desirable properties is introduced. The new method is applied at the second order of perturbation theory (XMCQDPT2) to the 1(1)A(')-2(1)A(') conical intersection in allene molecule, the avoided crossing in LiF molecule, and the 1(1)A(1) to 2(1)A(1) electronic transition in cis-1,3-butadiene. The new theory has several advantages compared to those of well-established approaches, such as second order multi-configuration quasi-degenerate perturbation theory and multi-state-second order complete active space perturbation theory. The analysis of the prevalent approaches to the MS-MR-PT theory performed within the framework of the XMCQDPT theory unveils the origin of their common inherent problems. We describe the efficient implementation strategy that makes XMCQDPT2 an especially useful general-purpose tool in the high-level modeling of small to large molecular systems. © 2011 American Institute of Physics

  6. Perturbation Theory for Open Two-Level Nonlinear Quantum Systems

    International Nuclear Information System (INIS)

    Zhang Zhijie; Jiang Dongguang; Wang Wei

    2011-01-01

    Perturbation theory is an important tool in quantum mechanics. In this paper, we extend the traditional perturbation theory to open nonlinear two-level systems, treating decoherence parameter γ as a perturbation. By this virtue, we give a perturbative solution to the master equation, which describes a nonlinear open quantum system. The results show that for small decoherence rate γ, the ratio of the nonlinear rate C to the tunneling coefficient V (i.e., r = C/V) determines the validity of the perturbation theory. For small ratio r, the perturbation theory is valid, otherwise it yields wrong results. (general)

  7. Nonlinear spherical perturbations in quintessence models of dark energy

    Science.gov (United States)

    Pratap Rajvanshi, Manvendra; Bagla, J. S.

    2018-06-01

    Observations have confirmed the accelerated expansion of the universe. The accelerated expansion can be modelled by invoking a cosmological constant or a dynamical model of dark energy. A key difference between these models is that the equation of state parameter w for dark energy differs from ‑1 in dynamical dark energy (DDE) models. Further, the equation of state parameter is not constant for a general DDE model. Such differences can be probed using the variation of scale factor with time by measuring distances. Another significant difference between the cosmological constant and DDE models is that the latter must cluster. Linear perturbation analysis indicates that perturbations in quintessence models of dark energy do not grow to have a significant amplitude at small length scales. In this paper we study the response of quintessence dark energy to non-linear perturbations in dark matter. We use a fully relativistic model for spherically symmetric perturbations. In this study we focus on thawing models. We find that in response to non-linear perturbations in dark matter, dark energy perturbations grow at a faster rate than expected in linear perturbation theory. We find that dark energy perturbation remains localised and does not diffuse out to larger scales. The dominant drivers of the evolution of dark energy perturbations are the local Hubble flow and a supression of gradients of the scalar field. We also find that the equation of state parameter w changes in response to perturbations in dark matter such that it also becomes a function of position. The variation of w in space is correlated with density contrast for matter. Variation of w and perturbations in dark energy are more pronounced in response to large scale perturbations in matter while the dependence on the amplitude of matter perturbations is much weaker.

  8. Reliability and Minimum Detectable Change of Temporal-Spatial, Kinematic, and Dynamic Stability Measures during Perturbed Gait.

    Directory of Open Access Journals (Sweden)

    Christopher A Rábago

    Full Text Available Temporal-spatial, kinematic variability, and dynamic stability measures collected during perturbation-based assessment paradigms are often used to identify dysfunction associated with gait instability. However, it remains unclear which measures are most reliable for detecting and tracking responses to perturbations. This study systematically determined the between-session reliability and minimum detectable change values of temporal-spatial, kinematic variability, and dynamic stability measures during three types of perturbed gait. Twenty young healthy adults completed two identical testing sessions two weeks apart, comprised of an unperturbed and three perturbed (cognitive, physical, and visual walking conditions in a virtual reality environment. Within each session, perturbation responses were compared to unperturbed walking using paired t-tests. Between-session reliability and minimum detectable change values were also calculated for each measure and condition. All temporal-spatial, kinematic variability and dynamic stability measures demonstrated fair to excellent between-session reliability. Minimal detectable change values, normalized to mean values ranged from 1-50%. Step width mean and variability measures demonstrated the greatest response to perturbations with excellent between-session reliability and low minimum detectable change values. Orbital stability measures demonstrated specificity to perturbation direction and sensitivity with excellent between-session reliability and low minimum detectable change values. We observed substantially greater between-session reliability and lower minimum detectable change values for local stability measures than previously described which may be the result of averaging across trials within a session and using velocity versus acceleration data for reconstruction of state spaces. Across all perturbation types, temporal-spatial, orbital and local measures were the most reliable measures with the

  9. Atomization of cadmium by FAAS in presence of a complex matrix

    Energy Technology Data Exchange (ETDEWEB)

    Hoenig, M; Vanderstappen, R; van Hoeyweghen, P

    1979-01-01

    Cadmium is one of the elements which is easily determinated in the absence of interfering ions by a flameless atomic absorption spectrometry, because of its low detection limits and good reproducibility of the measurements. In this study some of these interferences are evaluated and a method is described to overcome them by increasing the available carbon during the carbo-reduction having place in the thermal program run. This influence already partially assumed to happen by the furnace is completed by the carbon resulting from the thermal decomposition of the ascorbic acid added to the solutions. Perturbations of the atomization due to the excess of sodium and magnesium chlorides are considerably compensated. These encouraging results led to the realisation of the determination of cadmium in sea water by direct injection.

  10. Conductance maps of quantum rings due to a local potential perturbation.

    Science.gov (United States)

    Petrović, M D; Peeters, F M; Chaves, A; Farias, G A

    2013-12-11

    We performed a numerical simulation of the dynamics of a Gaussian shaped wavepacket inside a small sized quantum ring, smoothly connected to two leads and exposed to a perturbing potential of a biased atomic force microscope tip. Using the Landauer formalism, we calculated conductance maps of this system in the case of single and two subband transport. We explain the main features in the conductance maps as due to the AFM tip influence on the wavepacket phase and amplitude. In the presence of an external magnetic field, the tip modifies the ϕ0 periodic Aharonov-Bohm oscillation pattern into a ϕ0/2 periodic Al'tshuler-Aronov-Spivak oscillation pattern. Our results in the case of multiband transport suggest tip selectivity to higher subbands, making them more observable in the total conductance map.

  11. [Electron transfer, ionization, and excitation in atomic collisions]. Final technical report, June 15, 1986 - June 14, 1998

    International Nuclear Information System (INIS)

    1998-01-01

    The research on theoretical atomic collisions that was funded at The Pennsylvania State University's Wilkes-Barre Campus by DOE from 1986 to 1998 was carried out by Winger from 1986 to 1989 and by Winter and Alston from 1989 to 1998. The fundamental processes of electron transfer, ionization, and excitation in ion-ion, ion-atom, and, more recently, ion-molecule collisions were addressed. These collision processes were treated in the context of simple one-electron, quasi-one-electron, or two-electron systems in order to provide unambiguous results and reveal more clearly the collisional mechanisms. Winter's work generally focused on the intermediate projectile-energy range corresponding to proton energies from about ten to a few hundred keV. In this velocity-matching energy range, the electron-transfer cross section reaches a peak, and many states, including electron-transfer and ionization states, contribute to the overall electron-cloud distribution and transition probabilities; a large number of states are coupled, and therefore perturbative approaches are generally inappropriate. These coupled-state calculations were sometimes also extended to higher energies to join with perturbative results. Alston concentrated on intermediate-energy asymmetric collision systems, for which coupling with the projectile is weaker, but many target states are included, and on high energies (MeV energies). Thus, while perturbation theory for electron transfer is valid, it is not adequate to first order. The studies by Winter and Alston described were often done in parallel. Alston also developed formal perturbative approaches not tied to any particular system. Materials studied included He + , Li 2+ , Be 3+ , B 4+ , C 5+ , and the H + + Na system

  12. Visualising reacting single atoms under controlled conditions: Advances in atomic resolution in situ Environmental (Scanning) Transmission Electron Microscopy (E(S)TEM)

    Science.gov (United States)

    Boyes, Edward D.; Gai, Pratibha L.

    2014-02-01

    Advances in atomic resolution Environmental (Scanning) Transmission Electron Microscopy (E(S)TEM) for probing gas-solid catalyst reactions in situ at the atomic level under controlled reaction conditions of gas environment and temperature are described. The recent development of the ESTEM extends the capability of the ETEM by providing the direct visualisation of single atoms and the atomic structure of selected solid state heterogeneous catalysts in their working states in real-time. Atomic resolution E(S)TEM provides a deeper understanding of the dynamic atomic processes at the surface of solids and their mechanisms of operation. The benefits of atomic resolution-E(S)TEM to science and technology include new knowledge leading to improved technological processes with substantial economic benefits, improved healthcare, reductions in energy needs and the management of environmental waste generation. xml:lang="fr"

  13. Very high order lattice perturbation theory for Wilson loops

    International Nuclear Information System (INIS)

    Horsley, R.

    2010-10-01

    We calculate perturbativeWilson loops of various sizes up to loop order n=20 at different lattice sizes for pure plaquette and tree-level improved Symanzik gauge theories using the technique of Numerical Stochastic Perturbation Theory. This allows us to investigate the behavior of the perturbative series at high orders. We observe differences in the behavior of perturbative coefficients as a function of the loop order. Up to n=20 we do not see evidence for the often assumed factorial growth of the coefficients. Based on the observed behavior we sum this series in a model with hypergeometric functions. Alternatively we estimate the series in boosted perturbation theory. Subtracting the estimated perturbative series for the average plaquette from the non-perturbative Monte Carlo result we estimate the gluon condensate. (orig.)

  14. Odd-parity perturbations of the self-similar LTB spacetime

    Energy Technology Data Exchange (ETDEWEB)

    Duffy, Emily M; Nolan, Brien C, E-mail: emilymargaret.duffy27@mail.dcu.ie, E-mail: brien.nolan@dcu.ie [School of Mathematical Sciences, Dublin City University, Glasnevin, Dublin 9 (Ireland)

    2011-05-21

    We consider the behaviour of odd-parity perturbations of those self-similar LemaItre-Tolman-Bondi spacetimes which admit a naked singularity. We find that a perturbation which evolves from initially regular data remains finite on the Cauchy horizon. Finiteness is demonstrated by considering the behaviour of suitable energy norms of the perturbation (and pointwise values of these quantities) on natural spacelike hypersurfaces. This result holds for a general choice of initial data and initial data surface. Finally, we examine the perturbed Weyl scalars in order to provide a physical interpretation of our results. Taken on its own, this result does not support cosmic censorship; however, a full perturbation of this spacetime would include even-parity perturbations, so we cannot conclude that this spacetime is stable to all linear perturbations.

  15. Vibration spectra of single atomic nanocontacts

    International Nuclear Information System (INIS)

    Bourahla, B; Khater, A; Rafil, O; Tigrine, R

    2006-01-01

    This paper introduces a simple model for an atomic nanocontact, where its mechanical properties are analysed by calculating numerically the local spectral properties at the contact atom and the nearby atoms. The standard methodology for calculating phonon spectral densities is extended to enable the calculation of localized contact modes and local density of states (DOS). The model system considered for the nanocontact consists of two sets of triple parallel semi-infinite atomic chains joined by a single atom in between. The matching method is used, in the harmonic approximation, to calculate the local Green's functions for the irreducible set of sites that constitute the inhomogeneous nanocontact domain. The Green's functions yield the vibration spectra and the DOS for the atomic sites. These are numerically calculated for different cases of elastic hardening and softening of the nanocontact domain. The purpose is to investigate how the local dynamics respond to local changes in the elastic environment. The analysis of the spectra and of the DOS identifies characteristic features and demonstrates the central role of a core subset of these sites for the dynamics of the nanocontact. The system models a situation which may be appropriate for contact atomic force microscopy

  16. Dynamical Response of Networks Under External Perturbations: Exact Results

    Science.gov (United States)

    Chinellato, David D.; Epstein, Irving R.; Braha, Dan; Bar-Yam, Yaneer; de Aguiar, Marcus A. M.

    2015-04-01

    We give exact statistical distributions for the dynamic response of influence networks subjected to external perturbations. We consider networks whose nodes have two internal states labeled 0 and 1. We let nodes be frozen in state 0, in state 1, and the remaining nodes change by adopting the state of a connected node with a fixed probability per time step. The frozen nodes can be interpreted as external perturbations to the subnetwork of free nodes. Analytically extending and to be smaller than 1 enables modeling the case of weak coupling. We solve the dynamical equations exactly for fully connected networks, obtaining the equilibrium distribution, transition probabilities between any two states and the characteristic time to equilibration. Our exact results are excellent approximations for other topologies, including random, regular lattice, scale-free and small world networks, when the numbers of fixed nodes are adjusted to take account of the effect of topology on coupling to the environment. This model can describe a variety of complex systems, from magnetic spins to social networks to population genetics, and was recently applied as a framework for early warning signals for real-world self-organized economic market crises.

  17. Solitonic Integrable Perturbations of Parafermionic Theories

    CERN Document Server

    Fernández-Pousa, C R; Hollowood, Timothy J; Miramontes, J L

    1997-01-01

    The quantum integrability of a class of massive perturbations of the parafermionic conformal field theories associated to compact Lie groups is established by showing that they have quantum conserved densities of scale dimension 2 and 3. These theories are integrable for any value of a continuous vector coupling constant, and they generalize the perturbation of the minimal parafermionic models by their first thermal operator. The classical equations-of-motion of these perturbed theories are the non-abelian affine Toda equations which admit (charged) soliton solutions whose semi-classical quantization is expected to permit the identification of the exact S-matrix of the theory.

  18. Gauge-invariant perturbations in hybrid quantum cosmology

    Energy Technology Data Exchange (ETDEWEB)

    Gomar, Laura Castelló; Marugán, Guillermo A. Mena [Instituto de Estructura de la Materia, CSIC, Serrano 121, 28006 Madrid (Spain); Martín-Benito, Mercedes, E-mail: laura.castello@iem.cfmac.csic.es, E-mail: m.martin@hef.ru.nl, E-mail: mena@iem.cfmac.csic.es [Institute for Mathematics, Astrophysics and Particle Physics, Radboud University Nijmegen, Heyendaalseweg 135, NL-6525 AJ Nijmegen (Netherlands)

    2015-06-01

    We consider cosmological perturbations around homogeneous and isotropic spacetimes minimally coupled to a scalar field and present a formulation which is designed to preserve covariance. We truncate the action at quadratic perturbative order and particularize our analysis to flat compact spatial sections and a field potential given by a mass term, although the formalism can be extended to other topologies and potentials. The perturbations are described in terms of Mukhanov-Sasaki gauge invariants, linear perturbative constraints, and variables canonically conjugate to them. This set is completed into a canonical one for the entire system, including the homogeneous degrees of freedom. We find the global Hamiltonian constraint of the model, in which the contribution of the homogeneous sector is corrected with a term quadratic in the perturbations, that can be identified as the Mukhanov-Sasaki Hamiltonian in our formulation. We then adopt a hybrid approach to quantize the model, combining a quantum representation of the homogeneous sector with a more standard field quantization of the perturbations. Covariance is guaranteed in this approach inasmuch as no gauge fixing is adopted. Next, we adopt a Born-Oppenheimer ansatz for physical states and show how to obtain a Schrödinger-like equation for the quantum evolution of the perturbations. This evolution is governed by the Mukhanov-Sasaki Hamiltonian, with the dependence on the homogeneous geometry evaluated at quantum expectation values, and with a time parameter defined also in terms of suitable expectation values on that geometry. Finally, we derive effective equations for the dynamics of the Mukhanov-Sasaki gauge invariants, that include quantum contributions, but have the same ultraviolet limit as the classical equations. They provide the master equation to extract predictions about the power spectrum of primordial scalar perturbations.

  19. Gauge-invariant perturbations in hybrid quantum cosmology

    International Nuclear Information System (INIS)

    Gomar, Laura Castelló; Marugán, Guillermo A. Mena; Martín-Benito, Mercedes

    2015-01-01

    We consider cosmological perturbations around homogeneous and isotropic spacetimes minimally coupled to a scalar field and present a formulation which is designed to preserve covariance. We truncate the action at quadratic perturbative order and particularize our analysis to flat compact spatial sections and a field potential given by a mass term, although the formalism can be extended to other topologies and potentials. The perturbations are described in terms of Mukhanov-Sasaki gauge invariants, linear perturbative constraints, and variables canonically conjugate to them. This set is completed into a canonical one for the entire system, including the homogeneous degrees of freedom. We find the global Hamiltonian constraint of the model, in which the contribution of the homogeneous sector is corrected with a term quadratic in the perturbations, that can be identified as the Mukhanov-Sasaki Hamiltonian in our formulation. We then adopt a hybrid approach to quantize the model, combining a quantum representation of the homogeneous sector with a more standard field quantization of the perturbations. Covariance is guaranteed in this approach inasmuch as no gauge fixing is adopted. Next, we adopt a Born-Oppenheimer ansatz for physical states and show how to obtain a Schrödinger-like equation for the quantum evolution of the perturbations. This evolution is governed by the Mukhanov-Sasaki Hamiltonian, with the dependence on the homogeneous geometry evaluated at quantum expectation values, and with a time parameter defined also in terms of suitable expectation values on that geometry. Finally, we derive effective equations for the dynamics of the Mukhanov-Sasaki gauge invariants, that include quantum contributions, but have the same ultraviolet limit as the classical equations. They provide the master equation to extract predictions about the power spectrum of primordial scalar perturbations

  20. Reduced order dynamic model for polysaccharides molecule attached to an atomic force microscope

    International Nuclear Information System (INIS)

    Tang Deman; Li Aiqin; Attar, Peter; Dowell, Earl H.

    2004-01-01

    A dynamic analysis and numerical simulation has been conducted of a polysaccharides molecular structure (a ten (10) single-α-D-glucose molecule chain) connected to a moving atomic force microscope (AFM). Sinusoidal base excitation of the AFM cantilevered beam is considered. First a linearized perturbation model is constructed for the complex polysaccharides molecular structure. Then reduced order (dynamic) models based upon a proper orthogonal decomposition (POD) technique are constructed using global modes for both the linearized perturbation model and for the full nonlinear model. The agreement between the original and reduced order models (ROM/POD) is very good even when only a few global modes are included in the ROM for either the linear case or for the nonlinear case. The computational advantage of the reduced order model is clear from the results presented

  1. Selection rule engineering of forbidden transitions of a hydrogen atom near a nanogap

    Science.gov (United States)

    Kim, Hyunyoung Y.; Kim, Daisik S.

    2018-01-01

    We perform an analytical study on the allowance of forbidden transitions for a hydrogen atom placed near line dipole sources, mimicking light emanating from a one-dimensional metallic nanogap. It is shown that the rapid variation of the electric field vector, inevitable in the near zone, completely breaks the selection rule of Δl=±1. While the forbidden transitions between spherically symmetric S states, such as 2S to 1S or 3S to 1S (Δl=0), are rather robust against selection rule breakage, Δl=±2 transitions such as between 3D and 1S or 3D and 2S states are very vulnerable to the spatial variation of the perturbing electric field. Transitions between 2S and 3D states are enhanced by many orders of magnitude, aided by the quadratic nature of both the perturbing Hamiltonian and D wavefunctions. The forbidden dipole moment, which approaches one Bohr radius times the electric charge in the vicinity of the gap, can be written in a simple closed form owing to the one-dimensional nature of our gap. With large enough effective volume together with the symmetric nature of the excited state wavefunctions, our work paves way towards atomic physics application of infinitely long nanogaps.

  2. Cosmological perturbations in the new Higgs inflation

    Energy Technology Data Exchange (ETDEWEB)

    Germani, Cristiano [Arnold Sommerfeld Center, Ludwig-Maximilians-University, Theresienstr, 37 80333 Muenchen (Germany); Kehagias, Alex, E-mail: cristiano.germani@lmu.de, E-mail: kehagias@central.ntua.gr [Physics Division, National Technical University of Athens, 15780 Zografou Campus, Athens (Greece)

    2010-05-01

    We study the cosmological perturbations created during the New Higgs inflationary phase. In the New Higgs Inflation, the Higgs boson is kinetically coupled to the Einstein tensor and only three perturbative degrees of freedom, a scalar and two tensorial (gravitational waves), propagate during Inflation. Scalar perturbations are found to match the latest WMAP-7yrs data within Standard Model Higgs parameters. Primordial gravitational waves also, although propagating with superluminal speed, are consistent with present data. Finally, we estimate the values of the parameter of the New Higgs Inflation in relation to the Higgs mass, the spectral index and amplitude of the primordial scalar perturbations showing that the unitarity bound of the theory is not violated.

  3. Inflationary perturbations in anisotropic, shear-free universes

    International Nuclear Information System (INIS)

    Pereira, Thiago S.; Carneiro, Saulo; Marugan, Guillermo A. Mena

    2012-01-01

    In this work, the linear and gauge-invariant theory of cosmological perturbations in a class of anisotropic and shear-free spacetimes is developed. After constructing an explicit set of complete eigenfunctions in terms of which perturbations can be expanded, we identify the effective degrees of freedom during a generic slow-roll inflationary phase. These correspond to the anisotropic equivalent of the standard Mukhanov-Sasaki variables. The associated equations of motion present a remarkable resemblance to those found in perturbed Friedmann-Robertson-Walker spacetimes with curvature, apart from the spectrum of the Laplacian, which exhibits the characteristic frequencies of the underlying geometry. In particular, it is found that the perturbations cannot develop arbitrarily large super-Hubble modes

  4. Singular perturbations of empty Robertson-Walker cosmologies

    International Nuclear Information System (INIS)

    Newman, R.P.A.C.

    1979-02-01

    An investigation is presented which concerns a class of cosmological models defined by McVittie (1931): the universe is envisaged as a set of galaxies, idealised as point particles, which provide singular perturbations of Robertson-Walker cosmologies. The perturbations are considered only to first order in the gravitational coupling constant (8πG)/c 2 . Attention will only be given to such perturbations of empty Robertson-Walker cosmologies. Chapter 1 summarises the observational support for the type of model employed and for the smallness of the quantities to be used as perturbation coefficients. Chapter 2 provides the prerequisite analysis of Robertson-Walker cosmologies. Perturbations of empty Robertson-Walker cosmologies of non-vanishing cosmical constant are considered in general in Chapter 3. The structure of McVittie's singularly perturbed Robertson-Walker cosmologies are considered in detail in Chapter 4. The remaining chapters seek to investigate them further by way of their optical properties. Chapter 5 provides the necessary theory of geometric optics with particular regard to the intensity and distortion of a beam of light, and Chapter 6 applies this theory to the McVittie cosmologies. Chapter 7 sees the definition of an averaging procedure which leads to expressions for the intensity and distortion of a typical beam of light from a point source. (author)

  5. Perturbation Theory of the Cosmological Log-Density Field

    DEFF Research Database (Denmark)

    Wang, Xin; Neyrinck, Mark; Szapudi, István

    2011-01-01

    , motivating an analytic study of it. In this paper, we develop cosmological perturbation theory for the power spectrum of this field. Our formalism is developed in the context of renormalized perturbation theory, which helps to regulate the convergence behavior of the perturbation series, and of the Taylor...

  6. Ionization of inner shells of atoms taking account of outer shell rearrangement

    International Nuclear Information System (INIS)

    Amusia, M.Ya.

    1977-01-01

    The application of the general many-body theory and methods formulated with its help, in particular, the so-called random phase approximation with exchange (RPAE) and the many-body perturbation theory (MBPT) makes possible a description of ionization processes for many outer and intermediate shells of a number of atoms. This investigation of outer- and intermediate-shell ionization by photons and electrons demonstrates the collective character of these processes and the possibility of describing them by RPAE. 28 references

  7. Complete single ionization momentum spectra for strong perturbation collisions

    International Nuclear Information System (INIS)

    Olson, R.E.; Wood, C.J.

    1997-09-01

    The combination of recoil ion and ionized electron momentum spectroscopy provides an unparalleled method to investigate the details of ion-atom collision dynamics in kinematically complete experiments. To predict singleionization scattering behavior at the level now realized by experiment, the classical trajectory three-body Monte Carlo method has been used to obtain complete momenta information for the ionized electron, recoil ion, and projectile in the collision plane defined by the incident projectile and outgoing recoil ion. Strongly coupled systems were considered where the charge state of the projectile divided by the speed of the collision q/v is greater than unity. Illustrated are 3.6 MeV/u Se 28+ and 9.5 MeV/u Ni 26+ collisions on He where experimental data are available. The theoretical results are in good agreement with these data and calculations have been performed for 165 keV/u and 506 keV/u C 6+ +He to compare results for the same q/v perturbation strengths. (orig.)

  8. Divergence of perturbation theory in large scale structures

    Science.gov (United States)

    Pajer, Enrico; van der Woude, Drian

    2018-05-01

    We make progress towards an analytical understanding of the regime of validity of perturbation theory for large scale structures and the nature of some non-perturbative corrections. We restrict ourselves to 1D gravitational collapse, for which exact solutions before shell crossing are known. We review the convergence of perturbation theory for the power spectrum, recently proven by McQuinn and White [1], and extend it to non-Gaussian initial conditions and the bispectrum. In contrast, we prove that perturbation theory diverges for the real space two-point correlation function and for the probability density function (PDF) of the density averaged in cells and all the cumulants derived from it. We attribute these divergences to the statistical averaging intrinsic to cosmological observables, which, even on very large and "perturbative" scales, gives non-vanishing weight to all extreme fluctuations. Finally, we discuss some general properties of non-perturbative effects in real space and Fourier space.

  9. Interaction of Rydberg atoms in circular states with the alkaline-earth Ca(4s{sup 2}) and Sr(5s{sup 2}) atoms

    Energy Technology Data Exchange (ETDEWEB)

    Mironchuk, E. S.; Narits, A. A.; Lebedev, V. S., E-mail: vlebedev@sci.lebedev.ru [Russian Academy of Sciences, Lebedev Physical Institute (Russian Federation)

    2015-11-15

    The resonant mechanism of interaction of alkaline-earth atoms having a low electron affinity to Rydberg atoms in circular (l = vertical bar m vertical bar = n–1) and near-circular states has been studied. To describe the dynamics of resonant processes accompanied by nonadiabatic transitions between ionic and Rydberg covalent terms of a quasimolecule, an approach based on the integration of coupled equations for the probability amplitudes has been developed taking into account the possibility of the decay of an anion in the Coulomb field of the positive ionic core of a highly excited atom. The approach involves the specific features of the problem associated with the structure of the wavefunction of a Rydberg electron in states with high orbital angular momenta l ∼ n–1. This approach provides a much more accurate description of the dynamics of electronic transitions at collisions between atoms than that within the modified semiclassical Landau–Zener model. In addition, this approach makes it possible to effectively take into account many channels of the problem. The cross sections for resonant quenching of Rydberg states of the Li(nlm) atom with given principal n, orbital l = n–1, and magnetic m quantum numbers at thermal collisions with the Ca(4s{sup 2}) and Sr(5s{sup 2}) atoms have been calculated. The dependences of the results on n, m, and angle α between the relative velocity of the atoms and the normal to the plane of the orbit of the Rydberg electron have been obtained. The influence of orientational effects on the efficiency of the collisional destruction of circular and near-circular states has been studied. The results indicate a higher stability of such states to their perturbations by neutral particles as compared to usually studied nl states with low values of l (l ≪ n)

  10. Non-hard sphere thermodynamic perturbation theory.

    Science.gov (United States)

    Zhou, Shiqi

    2011-08-21

    A non-hard sphere (HS) perturbation scheme, recently advanced by the present author, is elaborated for several technical matters, which are key mathematical details for implementation of the non-HS perturbation scheme in a coupling parameter expansion (CPE) thermodynamic perturbation framework. NVT-Monte Carlo simulation is carried out for a generalized Lennard-Jones (LJ) 2n-n potential to obtain routine thermodynamic quantities such as excess internal energy, pressure, excess chemical potential, excess Helmholtz free energy, and excess constant volume heat capacity. Then, these new simulation data, and available simulation data in literatures about a hard core attractive Yukawa fluid and a Sutherland fluid, are used to test the non-HS CPE 3rd-order thermodynamic perturbation theory (TPT) and give a comparison between the non-HS CPE 3rd-order TPT and other theoretical approaches. It is indicated that the non-HS CPE 3rd-order TPT is superior to other traditional TPT such as van der Waals/HS (vdW/HS), perturbation theory 2 (PT2)/HS, and vdW/Yukawa (vdW/Y) theory or analytical equation of state such as mean spherical approximation (MSA)-equation of state and is at least comparable to several currently the most accurate Ornstein-Zernike integral equation theories. It is discovered that three technical issues, i.e., opening up new bridge function approximation for the reference potential, choosing proper reference potential, and/or using proper thermodynamic route for calculation of f(ex-ref), chiefly decide the quality of the non-HS CPE TPT. Considering that the non-HS perturbation scheme applies for a wide variety of model fluids, and its implementation in the CPE thermodynamic perturbation framework is amenable to high-order truncation, the non-HS CPE 3rd-order or higher order TPT will be more promising once the above-mentioned three technological advances are established. © 2011 American Institute of Physics

  11. Assessment of the accuracy of coupled cluster perturbation theory for open-shell systems. II. Quadruples expansions.

    Science.gov (United States)

    Eriksen, Janus J; Matthews, Devin A; Jørgensen, Poul; Gauss, Jürgen

    2016-05-21

    We extend our assessment of the potential of perturbative coupled cluster (CC) expansions for a test set of open-shell atoms and organic radicals to the description of quadruple excitations. Namely, the second- through sixth-order models of the recently proposed CCSDT(Q-n) quadruples series [J. J. Eriksen et al., J. Chem. Phys. 140, 064108 (2014)] are compared to the prominent CCSDT(Q) and ΛCCSDT(Q) models. From a comparison of the models in terms of their recovery of total CC singles, doubles, triples, and quadruples (CCSDTQ) energies, we find that the performance of the CCSDT(Q-n) models is independent of the reference used (unrestricted or restricted (open-shell) Hartree-Fock), in contrast to the CCSDT(Q) and ΛCCSDT(Q) models, for which the accuracy is strongly dependent on the spin of the molecular ground state. By further comparing the ability of the models to recover relative CCSDTQ total atomization energies, the discrepancy between them is found to be even more pronounced, stressing how a balanced description of both closed- and open-shell species-as found in the CCSDT(Q-n) models-is indeed of paramount importance if any perturbative CC model is to be of chemical relevance for high-accuracy applications. In particular, the third-order CCSDT(Q-3) model is found to offer an encouraging alternative to the existing choices of quadruples models used in modern computational thermochemistry, since the model is still only of moderate cost, albeit markedly more costly than, e.g., the CCSDT(Q) and ΛCCSDT(Q) models.

  12. The control of the exposure of the general public to radioactive materials in the environs of the Atomic Weapons Research Establishment (AWRE) Aldermaston

    International Nuclear Information System (INIS)

    Gallop, R.G.C.; Warren, B.B.; Hannan, A.M.; Saxby, W.N.

    1987-01-01

    The Atomic Weapons Research Establishment (AWRE) at Aldermaston discharges very small amounts of radioactive materials to the local environment. Calculations based on source information indicate that the resultant dose to the general public is less than 0.1% of the local natural radiation background. This conclusion is confirmed by the detailed and extensive environmental monitoring programme carried out by AWRE in the surrounding locality. (author)

  13. Dynamic evolution of Rayleigh-Taylor bubbles from sinusoidal, W-shaped, and random perturbations

    Science.gov (United States)

    Zhou, Zhi-Rui; Zhang, You-Sheng; Tian, Bao-Lin

    2018-03-01

    Implicit large eddy simulations of two-dimensional Rayleigh-Taylor instability at different density ratios (i.e., Atwood number A =0.05 , 0.5, and 0.9) are conducted to investigate the late-time dynamics of bubbles. To produce a flow field full of bounded, semibounded, and chaotic bubbles, three problems with distinct perturbations are simulated: (I) periodic sinusoidal perturbation, (II) isolated W-shaped perturbation, and (III) random short-wave perturbations. The evolution of height h , velocity v , and diameter D of the (dominant) bubble with time t are formulated and analyzed. In problem I, during the quasisteady stage, the simulations confirm Goncharov's prediction of the terminal speed v∞=Fr√{A g λ /(1 +A ) } , where Fr=1 /√{3 π } . Moreover, the diameter D at this stage is found to be proportional to the initial perturbation wavelength λ as D ≈λ . This differed from Daly's simulation result of D =λ (1 +A )/2 . In problem II, a W-shaped perturbation is designed to produce a bubble environment similar to that of chaotic bubbles in problem III. We obtain a similar terminal speed relationship as above, but Fr is replaced by Frw≈0.63 . In problem III, the simulations show that h grows quadratically with the bubble acceleration constant α ≡h /(A g t2)≈0.05 , and D expands self-similarly with a steady aspect ratio β ≡D /h ≈(1 +A )/2 , which differs from existing theories. Therefore, following the mechanism of self-similar growth, we derive a relationship of β =4 α (1 +A ) /Frw2 to relate the evolution of chaotic bubbles in problem III to that of semibounded bubbles in problem II. The validity of this relationship highlights the fact that the dynamics of chaotic bubbles in problem III are similar to the semibounded isolated bubbles in problem II, but not to that of bounded periodic bubbles in problem I.

  14. Atomic force microscopy for two-dimensional materials: A tutorial review

    Science.gov (United States)

    Zhang, Hang; Huang, Junxiang; Wang, Yongwei; Liu, Rui; Huai, Xiulan; Jiang, Jingjing; Anfuso, Chantelle

    2018-01-01

    Low dimensional materials exhibit distinct properties compared to their bulk counterparts. A plethora of examples have been demonstrated in two-dimensional (2-D) materials, including graphene and transition metal dichalcogenides (TMDCs). These novel and intriguing properties at the nano-, molecular- and even monatomic scales have triggered tremendous interest and research, from fundamental studies to practical applications and even device fabrication. The unique behaviors of 2-D materials result from the special structure-property relationships that exist between surface topographical variations and mechanical responses, electronic structures, optical characteristics, and electrochemical properties. These relationships are generally convoluted and sensitive to ambient and external perturbations. Characterizing these systems thus requires techniques capable of providing multidimensional information under controlled environments, such as atomic force microscopy (AFM). Today, AFM plays a key role in exploring the basic principles underlying the functionality of 2-D materials. In this tutorial review, we provide a brief introduction to some of the unique properties of 2-D materials, followed by a summary of the basic principles of AFM and the various AFM modes most appropriate for studying these systems. Following that, we will focus on five important properties of 2-D materials and their characterization in more detail, including recent literature examples. These properties include nanomechanics, nanoelectromechanics, nanoelectrics, nanospectroscopy, and nanoelectrochemistry.

  15. Operator Decomposition Framework for Perturbation Theory

    Energy Technology Data Exchange (ETDEWEB)

    Abdel-Khalik, Hany S.; Wang, Congjian; Bang, Young Suk [North Carolina State University, Raleigh (United States)

    2012-05-15

    This summary describes a new framework for perturbation theory intended to improve its performance, in terms of the associated computational cost and the complexity of implementation, for routine reactor calculations in support of design, analysis, and regulation. Since its first introduction in reactor analysis by Winger, perturbation theory has assumed an aura of sophistication with regard to its implementation and its capabilities. Only few reactor physicists, typically mathematically proficient, have contributed to its development, with the general body of the nuclear engineering community remaining unaware of its current status, capabilities, and challenges. Given its perceived sophistication and the small body of community users, the application of perturbation theory has been limited to investigatory analyses only. It is safe to say that the nuclear community is split into two groups, a small one which understands the theory and, and a much bigger group with the perceived notion that perturbation theory is nothing but a fancy mathematical approach that has very little use in practice. Over the past three years, research has demonstrated two goals. First, reduce the computational cost of perturbation theory in order to enable its use for routine reactor calculations. Second, expose some of the myth about perturbation theory and present it in a form that is simple and relatable in order to stimulate the interest of nuclear practitioners, especially those who are currently working on the development of next generation reactor design and analysis tools. The operator decomposition approach has its roots in linear algebra and can be easily understood by code developers, especially those involved in the design of iterative numerical solution strategies

  16. Perturbations of the Friedmann universe

    International Nuclear Information System (INIS)

    Novello, M.; Salim, J.M.; Heintzmann, H.

    1982-01-01

    Correcting and extending previous work by Hawking (1966) and Olson (1976) the complete set of perturbation equations of a Friedmann Universe in the quasi-Maxwellian form is derived and analized. The formalism is then applied to scalar, vector and tensor perturbations of a phenomenological fluid, which is modelled such as to comprise shear and heat flux. Depending on the equation of state of the background it is found that there exist unstable (growing) modes of purely rotational character. It is further found that (to linear order at least) any vortex perturbation is equivalent to a certain heat flux vector. The equation for the gravitational waves are derived in a completely equivalent method as in case of the propagation, in a curved space-time, of electromagnetic waves in a plasma endowed with some definite constitutive relations. (Author) [pt

  17. Anti-terror/non-proliferation efforts and South Korea's planning for atomic energy

    International Nuclear Information System (INIS)

    Chun, Chae Sung

    2006-01-01

    This study deals with the relationship between rapidly changing international security environments, the US security policy on the one hand, and policy environments of atomic energy. Based on the notion that the issue of atomic energy development is closely interrelated with the situation of international security especially after the tragic incident of 9/11, this study focuses on the impact of changing security environments on the conditions under which South Korea uses atomic power. It also deals with the subject of how the new framework of NPT, and the policy of IAEA influences upon South Korea's atomic polices in the future. This study examines the nature and contents of the US foreign policy and its efforts toward nonproliferation and counterproliferation. This study also deals with the Iranian case in which the US efforts of counterproliferation and Iranian argument for the rights of peaceful use of atomic energy based on the concept of national sovereignty. The Iranian case sheds light on the most acute aspect of current stage of nonproliferation, but also on the way of solving the North Korean nuclear crisis. This study also take issue with the future course of nonprolieration and the South Korea's policy for its maximum use of atomic energy

  18. Handbook of theoretical atomic physics. Data for photon absorption, electron scattering, and vacancies decay

    Energy Technology Data Exchange (ETDEWEB)

    Amusia, Miron [Hebrew Univ., Jerusalem (Israel). Racah Inst. of Physics; Ioffe Physico-Technical Inst., St. Petersburg (Russian Federation); Chernysheva, Larissa [Ioffe Physico-Technical Inst., St. Petersburg (Russian Federation); Yarzhemsky, Victor [Kurnakov Institute of General and Inorganic Chemistry, Moscow (Russian Federation)

    2012-07-01

    The aim of this book is to present highly accurate and extensive theoretical Atomic data and to give a survey of selected calculational methods for atomic physics, used to obtain these data. The book presents the results of calculations of cross sections and probabilities of a broad variety of atomic processes with participation of photons and electrons, namely on photoabsorption, electron scattering and accompanying effects. Included are data for photoabsorption and electron scattering cross-sections and probabilities of vacancy decay formed for a large number of atoms and ions. Attention is also given to photoionization and vacancy decay in endohedrals and to positron-atom scattering. The book is richly illustrated. The methods used are one-electron Hartree-Fock and the technique of Feynman diagrams that permits to include many-electron correlations. This is done in the frames of the Random Phase approximation with exchange and the many-body perturbation theory. Newly obtained and previously collected atomic data are presented. The atomic data are useful for investigating the electronic structure and physical processes in solids and liquids, molecules and clusters, astronomical objects, solar and planet atmospheres and atomic nucleus. Deep understanding of chemical reactions and processes is reached by deep and accurate knowledge of atomic structure and processes with participation of atoms. This book is useful for theorists performing research in different domains of contemporary physics, chemistry and biology, technologists working on production of new materials and for experimentalists performing research in the field of photon and electron interaction with atoms, molecules, solid bodies and liquids.

  19. Resolution of ambiguities in perturbative QCD

    International Nuclear Information System (INIS)

    Nakkagawa, Hisao; Niegawa, Akira.

    1984-01-01

    In the perturbative QCD analyses of the deeply inelastic processes, the coupling constant depends on at least two mass-scales, the renormalization scale and the factorization scale. By integrating the coupled renormalization group equations with respect to these two mass-scales, the running coupling constant is defined. A perturbative approximation then introduces a new ambiguity, the integration-path dependence, into the theory. We show that the problem of this new ambiguity is resolved by imposing Stevenson's principle of minimal sensitivity. Together with the analogous analysis of the operator matrix element or the cut vertex, we can completely solve the problem of getting an unambiguous perturbative QCD prediction. (author)

  20. Perturbation analysis of linear control problems

    International Nuclear Information System (INIS)

    Petkov, Petko; Konstantinov, Mihail

    2017-01-01

    The paper presents a brief overview of the technique of splitting operators, proposed by the authors and intended for perturbation analysis of control problems involving unitary and orthogonal matrices. Combined with the technique of Lyapunov majorants and the implementation of the Banach and Schauder fixed point principles, it allows to obtain rigorous non-local perturbation bounds for a set of sensitivity analysis problems. Among them are the reduction of linear systems into orthogonal canonical forms, the feedback synthesis problem and pole assignment problem in particular, as well as other important problems in control theory and linear algebra. Key words: perturbation analysis, canonical forms, feedback synthesis

  1. Oxidation of ruthenium thin films using atomic oxygen

    Energy Technology Data Exchange (ETDEWEB)

    McCoy, A.P.; Bogan, J.; Brady, A.; Hughes, G.

    2015-12-31

    In this study, the use of atomic oxygen to oxidise ruthenium thin films is assessed. Atomic layer deposited (ALD) ruthenium thin films (~ 3 nm) were exposed to varying amounts of atomic oxygen and the results were compared to the impact of exposures to molecular oxygen. X-ray photoelectron spectroscopy studies reveal substantial oxidation of metallic ruthenium films to RuO{sub 2} at exposures as low as ~ 10{sup 2} L at 575 K when atomic oxygen was used. Higher exposures of molecular oxygen resulted in no metal oxidation highlighting the benefits of using atomic oxygen to form RuO{sub 2}. Additionally, the partial oxidation of these ruthenium films occurred at temperatures as low as 293 K (room temperature) in an atomic oxygen environment. - Highlights: • X-ray photoelectron spectroscopy study of the oxidation of Ru thin films • Oxidation of Ru thin films using atomic oxygen • Comparison between atomic oxygen and molecular oxygen treatments on Ru thin films • Fully oxidised RuO{sub 2} thin films formed with low exposures to atomic oxygen.

  2. Cumulants in perturbation expansions for non-equilibrium field theory

    International Nuclear Information System (INIS)

    Fauser, R.

    1995-11-01

    The formulation of perturbation expansions for a quantum field theory of strongly interacting systems in a general non-equilibrium state is discussed. Non-vanishing initial correlations are included in the formulation of the perturbation expansion in terms of cumulants. The cumulants are shown to be the suitable candidate for summing up the perturbation expansion. Also a linked-cluster theorem for the perturbation series with cumulants is presented. Finally a generating functional of the perturbation series with initial correlations is studied. We apply the methods to a simple model of a fermion-boson system. (orig.)

  3. Atomic collisions under extreme conditions in space

    International Nuclear Information System (INIS)

    Itikawa, Yukikazu

    1987-01-01

    In space, atoms and molecules are often placed under the extreme conditions which are very difficult to be realized on Earth. For instance, extremely hot and dense plasmas are found in and around various stellar objects (e.g., neutron stars) on one hand and extremely cold and diffuse gases prevail in interstellar space on the other. There is so strong a magnetic field that electron clouds in atoms and molecules are distorted. The study of atomic collisions under the extreme conditions is not only helpful in understanding the astrophysical environment but also reveals new aspects of the physics of atoms and molecules. This paper is an invitation to the study. (References are not exhaustive but only provide a clue with which more details can be found.) (author)

  4. Collisional broadening of alkali doublets by helium perturbers

    Energy Technology Data Exchange (ETDEWEB)

    Mullamphy, D F T [School of Mathematics, Physics and Information Technology, James Cook University, Townsville 4811 (Australia); Peach, G [Department of Physics and Astronomy, University College London WC1E 6BT (United Kingdom); Venturi, V [School of Mathematics, Physics and Information Technology, James Cook University, Townsville 4811 (Australia); Whittingham, I B [School of Mathematics, Physics and Information Technology, James Cook University, Townsville 4811 (Australia); Gibson, S J [School of Mathematics, Physics and Information Technology, James Cook University, Townsville 4811 (Australia)

    2007-03-28

    We report results for the Lorentzian profiles of the Li I, Na I and K I doublets and the Na I subordinate doublet broadened by helium perturbers for temperatures up to 3000 K. They have been obtained from a fully quantum-mechanical close-coupling description of the colliding atoms, the Baranger theory of line shapes and new ab initio potentials for the alkali-helium interaction. For all lines except the 769.9 nm K I line, the temperature dependence of the widths over the range 70 {<=} T {<=} 3000 K is accurately represented by the power law form w = aT{sup bb} with 0.38 < b < 0.43. The 769.9 nm K I line has this form for 500 {<=} T {<=} 3000 K with b having the higher value of 0.49. Although the shifts have a more complex temperature dependence, they all have the general feature of increasing with temperature above T {approx} 500 K apart from the 769.9 K I line whose shift decreases with temperature.

  5. Traffic Perturbation

    CERN Multimedia

    C. Colloca TS/FM

    2004-01-01

    TS/FM group informs you that, for the progress of the works at the Prévessin site entrance, some perturbation of the traffic may occur during the week between the 14th and 18th of June for a short duration. Access will be assured at any time. For more information, please contact 160239. C. Colloca TS/FM

  6. Mode coupling of Schwarzschild perturbations: Ringdown frequencies

    International Nuclear Information System (INIS)

    Pazos, Enrique; Brizuela, David; Martin-Garcia, Jose M.; Tiglio, Manuel

    2010-01-01

    Within linearized perturbation theory, black holes decay to their final stationary state through the well-known spectrum of quasinormal modes. Here we numerically study whether nonlinearities change this picture. For that purpose we study the ringdown frequencies of gauge-invariant second-order gravitational perturbations induced by self-coupling of linearized perturbations of Schwarzschild black holes. We do so through high-accuracy simulations in the time domain of first and second-order Regge-Wheeler-Zerilli type equations, for a variety of initial data sets. We consider first-order even-parity (l=2, m=±2) perturbations and odd-parity (l=2, m=0) ones, and all the multipoles that they generate through self-coupling. For all of them and all the initial data sets considered we find that--in contrast to previous predictions in the literature--the numerical decay frequencies of second-order perturbations are the same ones of linearized theory, and we explain the observed behavior. This would indicate, in particular, that when modeling or searching for ringdown gravitational waves, appropriately including the standard quasinormal modes already takes into account nonlinear effects.

  7. Supersymmetry restoration in superstring perturbation theory

    International Nuclear Information System (INIS)

    Sen, Ashoke

    2015-01-01

    Superstring perturbation theory based on the 1PI effective theory approach has been useful for addressing the problem of mass renormalization and vacuum shift. We derive Ward identities associated with space-time supersymmetry transformation in this approach. This leads to a proof of the equality of renormalized masses of bosons and fermions and identities relating fermionic amplitudes to bosonic amplitudes after taking into account the effect of mass renormalization. This also relates unbroken supersymmetry to a given order in perturbation theory to absence of tadpoles of massless scalars to higher order. The results are valid at the perturbative vacuum as well as in the shifted vacuum when the latter describes the correct ground state of the theory. We apply this to SO(32) heterotic string theory on Calabi-Yau 3-folds where a one loop Fayet-Iliopoulos term apparently breaks supersymmetry at one loop, but analysis of the low energy effective field theory indicates that there is a nearby vacuum where supersymmetry is restored. We explicitly prove that the perturbative amplitudes of this theory around the shifted vacuum indeed satisfy the Ward identities associated with unbroken supersymmetry. We also test the general arguments by explicitly verifying the equality of bosonic and fermionic masses at one loop order in the shifted vacuum, and the appearance of two loop dilaton tadpole in the perturbative vacuum where supersymmetry is expected to be broken.

  8. Supersymmetry restoration in superstring perturbation theory

    Energy Technology Data Exchange (ETDEWEB)

    Sen, Ashoke [Harish-Chandra Research Institute,Chhatnag Road, Jhusi, Allahabad 211019 (India)

    2015-12-14

    Superstring perturbation theory based on the 1PI effective theory approach has been useful for addressing the problem of mass renormalization and vacuum shift. We derive Ward identities associated with space-time supersymmetry transformation in this approach. This leads to a proof of the equality of renormalized masses of bosons and fermions and identities relating fermionic amplitudes to bosonic amplitudes after taking into account the effect of mass renormalization. This also relates unbroken supersymmetry to a given order in perturbation theory to absence of tadpoles of massless scalars to higher order. The results are valid at the perturbative vacuum as well as in the shifted vacuum when the latter describes the correct ground state of the theory. We apply this to SO(32) heterotic string theory on Calabi-Yau 3-folds where a one loop Fayet-Iliopoulos term apparently breaks supersymmetry at one loop, but analysis of the low energy effective field theory indicates that there is a nearby vacuum where supersymmetry is restored. We explicitly prove that the perturbative amplitudes of this theory around the shifted vacuum indeed satisfy the Ward identities associated with unbroken supersymmetry. We also test the general arguments by explicitly verifying the equality of bosonic and fermionic masses at one loop order in the shifted vacuum, and the appearance of two loop dilaton tadpole in the perturbative vacuum where supersymmetry is expected to be broken.

  9. Perturbation analysis of nonlinear matrix population models

    Directory of Open Access Journals (Sweden)

    Hal Caswell

    2008-03-01

    Full Text Available Perturbation analysis examines the response of a model to changes in its parameters. It is commonly applied to population growth rates calculated from linear models, but there has been no general approach to the analysis of nonlinear models. Nonlinearities in demographic models may arise due to density-dependence, frequency-dependence (in 2-sex models, feedback through the environment or the economy, and recruitment subsidy due to immigration, or from the scaling inherent in calculations of proportional population structure. This paper uses matrix calculus to derive the sensitivity and elasticity of equilibria, cycles, ratios (e.g. dependency ratios, age averages and variances, temporal averages and variances, life expectancies, and population growth rates, for both age-classified and stage-classified models. Examples are presented, applying the results to both human and non-human populations.

  10. Investigation of electromagnetic properties of BiFeO3 by Time Differential Perturbed Angular Correlation (TDPAC) technique at ISOLDE

    CERN Document Server

    Efe, Ipek

    2017-01-01

    Time differential perturbed angular correlation (TDPAC) technique is one of the most sensitive techniques to study about the electric and magnetic fields at the individual lattice points. It benefits from the hyperfine interactions between the probe atom and its neighborhood. Multiferroic materials have been intensively studied to promote and understand the possibility of controlling magnetic properties by electric fields instead of magnetic fields which opens the path to faster, smaller, and more energy-efficient spintronic devices, such as memory elements, high-frequency magnetic devices, and micro-electro-mechanical systems, for data-storage technologies. BiFeO3 is one of the famous and important multiferroic materials since it shows both antiferromagnetic and ferroelectric behavior at room temperature. In this study, we report on the first time-differential perturbed angular correlation (TDPAC) measurements carried out on polycrystalline BiFeO3 samples using the nuclear probe 181Hf(181Ta) after implantati...

  11. Low-lying nuclear levels and radiative transitions in hadronic atoms

    International Nuclear Information System (INIS)

    Popov, V.S.; Kudryavtsev, A.E.; Lisin, V.I.; Mur, V.D.

    1985-01-01

    The analytic theory of nuclear level shifts permit the position of the nuclear level perturbing the Coulomb spectrum to be calculated on the basis of the magnitude of the level shift of a hadron atom. As an example the K -4 He atom is discussed. The experimental data on the 2p-level shift indicate that a weakly bound p-state with a binding energy and width epsilon approximately γ approximately 0.5 MeV may exist in the system. The probabilities for radiative transitions to this level and the cross section for its creation in a nuclear reaction with 6 Li are calculated. The possible existence of weakly coupled K - and anti p states for other light nuclei is discussed. An exact solution of the model Coulomb problem with short range interaction is obtained and this permits the limits of validity of the initial approximations to be determined

  12. Excitation of the 1P and 3P levels of Mg atom by electron impact

    International Nuclear Information System (INIS)

    Avdonina, N.B.; Amus'ya, M.Ya.

    1983-01-01

    Using a diagram method of the many-body theory in the first order of the perturbation theory for the interaction of incident electron and atom expressions for differential and integral excitation cross sections of 3s → 3p 1 P and 3s → 3p 3 P magnesium have been derived. Calculational results are compared with experimental as well as with calculations made in the approximation of a strong coupling. In a wide range of scattering angles good agreement with cross sections measured experimentally has been obtained. Necessity of the diagram consideration of a higher order of the perturbation theory during the investigation of the scattering processes at small angles is concluded on the basis of the above comparison

  13. Nonperturbative Quantum Physics from Low-Order Perturbation Theory.

    Science.gov (United States)

    Mera, Héctor; Pedersen, Thomas G; Nikolić, Branislav K

    2015-10-02

    The Stark effect in hydrogen and the cubic anharmonic oscillator furnish examples of quantum systems where the perturbation results in a certain ionization probability by tunneling processes. Accordingly, the perturbed ground-state energy is shifted and broadened, thus acquiring an imaginary part which is considered to be a paradigm of nonperturbative behavior. Here we demonstrate how the low order coefficients of a divergent perturbation series can be used to obtain excellent approximations to both real and imaginary parts of the perturbed ground state eigenenergy. The key is to use analytic continuation functions with a built-in singularity structure within the complex plane of the coupling constant, which is tailored by means of Bender-Wu dispersion relations. In the examples discussed the analytic continuation functions are Gauss hypergeometric functions, which take as input fourth order perturbation theory and return excellent approximations to the complex perturbed eigenvalue. These functions are Borel consistent and dramatically outperform widely used Padé and Borel-Padé approaches, even for rather large values of the coupling constant.

  14. On the existence of perturbed Robertson-Walker universes

    International Nuclear Information System (INIS)

    D'Eath, P.D.

    1976-01-01

    Solutions of the full nonlinear field equations of general relativity near the Robertson-Walker universes are examined, together with their relation to linearized perturbations. A method due to Choquet-Bruhat and Deser is used to prove existence theorems for solutions near Robertson-Walker constraint data of the constraint equations on a spacelike hypersurface. These theorems allow one to regard the matter fluctuations as independent quantities, ranging over certain function spaces. In the k=-1 case the existence theory describes perturbations which may vary within uniform bounds throughout space. When k=+1 a modification of the method leads to a theorem which clarifies some unusual features of these constraint perturbations. The k=0 existence theorem refers only to perturbations which die away at large distances. The connection between linearized constraint solutions and solutions of the full constraints is discussed. For k= +- 1 backgrounds, solutions of the linearized constraints are analyzed using transverse-traceless decompositions of symmetric tensors. Finally the time-evolution of perturbed constraint data and the validity of linearized perturbation theory for Robertson-Walker universes are considered

  15. Finite field-dependent symmetries in perturbative quantum gravity

    International Nuclear Information System (INIS)

    Upadhyay, Sudhaker

    2014-01-01

    In this paper we discuss the absolutely anticommuting nilpotent symmetries for perturbative quantum gravity in general curved spacetime in linear and non-linear gauges. Further, we analyze the finite field-dependent BRST (FFBRST) transformation for perturbative quantum gravity in general curved spacetime. The FFBRST transformation changes the gauge-fixing and ghost parts of the perturbative quantum gravity within functional integration. However, the operation of such symmetry transformation on the generating functional of perturbative quantum gravity does not affect the theory on physical ground. The FFBRST transformation with appropriate choices of finite BRST parameter connects non-linear Curci–Ferrari and Landau gauges of perturbative quantum gravity. The validity of the results is also established at quantum level using Batalin–Vilkovisky (BV) formulation. -- Highlights: •The perturbative quantum gravity is treated as gauge theory. •BRST and anti-BRST transformations are developed in linear and non-linear gauges. •BRST transformation is generalized by making it finite and field dependent. •Connection between linear and non-linear gauges is established. •Using BV formulation the results are established at quantum level also

  16. High-order perturbations of a spherical collapsing star

    International Nuclear Information System (INIS)

    Brizuela, David; Martin-Garcia, Jose M.; Sperhake, Ulrich; Kokkotas, Kostas D.

    2010-01-01

    A formalism to deal with high-order perturbations of a general spherical background was developed in earlier work [D. Brizuela, J. M. Martin-Garcia, and G. A. Mena Marugan, Phys. Rev. D 74, 044039 (2006); D. Brizuela, J. M. Martin-Garcia, and G. A. Mena Marugan, Phys. Rev. D 76, 024004 (2007)]. In this paper, we apply it to the particular case of a perfect fluid background. We have expressed the perturbations of the energy-momentum tensor at any order in terms of the perturbed fluid's pressure, density, and velocity. In general, these expressions are not linear and have sources depending on lower-order perturbations. For the second-order case we make the explicit decomposition of these sources in tensor spherical harmonics. Then, a general procedure is given to evolve the perturbative equations of motions of the perfect fluid for any value of the harmonic label. Finally, with the problem of a spherical collapsing star in mind, we discuss the high-order perturbative matching conditions across a timelike surface, in particular, the surface separating the perfect fluid interior from the exterior vacuum.

  17. Toward a Rigorous Definition of a Strength of Any Interaction Between Bader's Atomic Basins.

    Science.gov (United States)

    Ananyev, Ivan V; Karnoukhova, Valentina A; Dmitrienko, Artem O; Lyssenko, Konstantin A

    2017-06-15

    Strength of interaction between Bader's atomic basins, enclosed by zero-flux surfaces of electron distribution, was proposed to be a measure of elastic deformation of an interaction. The set containing 53 atomic aggregate and covering all range of interaction strength (from van der Waals interactions to triple covalent bonds) was calculated by DFT and perturbation theory methods. Further analysis was performed to seek correlations between various local quantities based on electron density and effective force constants of stretching diatomic vibrations. The linear trend between effective force constants and the potential energy density at the (3, -1) critical point of electron distribution was found. This correlation was improved by the integration of the potential energy density over an interbasin zero-flux surface of electron density. Simple mechanical explanation of established trends is presented. The correlations can be further used to at least semiquantitatively compare any pair of interactions between Bader's atomic basins.

  18. Local environment effects in disordered alloys

    International Nuclear Information System (INIS)

    Cable, J.W.

    1978-01-01

    The magnetic moment of an atom in a ferromagnetic disordered alloy depends on the local environment of that atom. This is particularly true for Ni and Pd based alloys for which neutron diffuse scattering measurements of the range and magnitude of the moment disturbances indicate that both magnetic and chemical environment are important in determining the moment distribution. In this paper we review recent neutron studies of local environment effects in Ni based alloys. These are discussed in terms of a phenomenological model that allows a separation of the total moment disturbance at a Ni site into its chemical and magnetic components

  19. The spectrum of density perturbations in an expanding universe

    Science.gov (United States)

    Silk, J.

    1974-01-01

    The basic dynamic equations that govern the evolution of perturbations in a Friedmann-Lemaitre universe are derived. General solutions describing the evolution of adiabatic perturbations in the density of matter are obtained, and the choice of the appropriate initial conditions is examined. The various perturbation modes are compared, and the effects of decoupling on the perturbation spectrum are studied. The scheme used to follow the evolution of density perturbations through decoupling is based on an extension of the Eddington approximation to the radiative transfer equation, and is strictly valid in both optically thick and thin limits.

  20. A perturbation-based model for rectifier circuits

    Directory of Open Access Journals (Sweden)

    Vipin B. Vats

    2006-01-01

    Full Text Available A perturbation-theoretic analysis of rectifier circuits is presented. The governing differential equation of the half-wave rectifier with capacitor filter is analyzed by expanding the output voltage as a Taylor series with respect to an artificially introduced parameter in the nonlinearity of the diode characteristic as is done in quantum theory. The perturbation parameter introduced in the analysis is independent of the circuit components as compared to the method presented by multiple scales. The various terms appearing in the perturbation series are then modeled in the form of an equivalent circuit. This model is subsequently used in the analysis of full-wave rectifier. Matlab simulation results are included which confirm the validity of the theoretical formulations. Perturbation analysis acts a helpful tool in analyzing time-varying systems and chaotic systems.

  1. SHARP ENTRYWISE PERTURBATION BOUNDS FOR MARKOV CHAINS.

    Science.gov (United States)

    Thiede, Erik; VAN Koten, Brian; Weare, Jonathan

    For many Markov chains of practical interest, the invariant distribution is extremely sensitive to perturbations of some entries of the transition matrix, but insensitive to others; we give an example of such a chain, motivated by a problem in computational statistical physics. We have derived perturbation bounds on the relative error of the invariant distribution that reveal these variations in sensitivity. Our bounds are sharp, we do not impose any structural assumptions on the transition matrix or on the perturbation, and computing the bounds has the same complexity as computing the invariant distribution or computing other bounds in the literature. Moreover, our bounds have a simple interpretation in terms of hitting times, which can be used to draw intuitive but rigorous conclusions about the sensitivity of a chain to various types of perturbations.

  2. Schroedinger operators with singular perturbation potentials

    International Nuclear Information System (INIS)

    Harrell, E.M. II.

    1976-01-01

    This is a perturbative analysis of the eigenvalues and eigenfunctions of Schroedinger operators of the form -Δ + A + lambda V, defined on the Hilbert space L 2 (R/sup n/). A is a potential function (a smooth, real multiplication operator), and V is a ''spikelike'' perturbation, i.e., a perturbative potential function which diverges at some finite point. Lambda is a small real or complex parameter. The emphasis is on one-dimensional problems, and in particular the typical example is the ''spiked harmonic oscillator'' Hamiltonian, -d 2 /dx 2 + x 2 + lambda x/sup -α/, where α is a positive constant. An earlier study by L. Detwiler and J. R. Klauder [Phys. Rev. D 11 (1975) 1436] indicated that the lowest-order corrections to the ground-state eigenvalue of the spiked harmonic oscillator with lambda greater than 0 were proportional to lambda ln lambda when α = 3, and to lambda/sup 1/(α-2) when α is greater than 3. These and analogous results for a large class of operators and arbitrary eigenvalues are proved. Explicit constants in a modified perturbation series with a complicated dependence on lambda are determined and exhibited. Higher-order corrections for real lambda and lowest-order corrections for complex lambda are also discussed. While the substance of the dissertation is mathematical, its main applications are to quantum physics. The immediate cause of interest in such problems was the use of their peculiar convergence properties by J. R. Klauder as models for the behavior of nonrenormalizable quantum field theories. However, the results of this study are likely to be of greater importance in chemical or nuclear physics, as positive spikelike perturbations represent repulsive core interactions for quantum mechanical particles. The modified perturbation series are a new calculation technique for this situation

  3. Alteration in neonatal nutrition causes perturbations in hypothalamic neural circuits controlling reproductive function.

    Science.gov (United States)

    Caron, Emilie; Ciofi, Philippe; Prevot, Vincent; Bouret, Sebastien G

    2012-08-15

    It is increasingly accepted that alterations of the early life environment may have lasting impacts on physiological functions. In particular, epidemiological and animal studies have indicated that changes in growth and nutrition during childhood and adolescence can impair reproductive function. However, the precise biological mechanisms that underlie these programming effects of neonatal nutrition on reproduction are still poorly understood. Here, we used a mouse model of divergent litter size to investigate the effects of early postnatal overnutrition and undernutrition on the maturation of hypothalamic circuits involved in reproductive function. Neonatally undernourished females display attenuated postnatal growth associated with delayed puberty and defective development of axonal projections from the arcuate nucleus to the preoptic region. These alterations persist into adulthood and specifically affect the organization of neural projections containing kisspeptin, a key neuropeptide involved in pubertal activation and fertility. Neonatal overfeeding also perturbs the development of neural projections from the arcuate nucleus to the preoptic region, but it does not result in alterations in kisspeptin projections. These studies indicate that alterations in the early nutritional environment cause lasting and deleterious effects on the organization of neural circuits involved in the control of reproduction, and that these changes are associated with lifelong functional perturbations.

  4. Wilson loops in very high order lattice perturbation theory

    International Nuclear Information System (INIS)

    Ilgenfritz, E.M.; Nakamura, Y.; Perlt, H.; Schiller, A.; Rakow, P.E.L.; Schierholz, G.; Regensburg Univ.

    2009-10-01

    We calculate Wilson loops of various sizes up to loop order n=20 for lattice sizes of L 4 (L=4,6,8,12) using the technique of Numerical Stochastic Perturbation Theory in quenched QCD. This allows to investigate the behaviour of the perturbative series at high orders. We discuss three models to estimate the perturbative series: a renormalon inspired fit, a heuristic fit based on an assumed power-law singularity and boosted perturbation theory. We have found differences in the behavior of the perturbative series for smaller and larger Wilson loops at moderate n. A factorial growth of the coefficients could not be confirmed up to n=20. From Monte Carlo measured plaquette data and our perturbative result we estimate a value of the gluon condensate left angle (α)/(π)GG right angle. (orig.)

  5. One-dimensional "atom" with zero-range potential perturbed by finite sequence of zero-duration laser pulses

    Science.gov (United States)

    Gusev, A. A.; Chuluunbaatar, O.; Popov, Yu. V.; Vinitsky, S. I.; Derbov, V. L.; Lovetskiy, K. P.

    2018-04-01

    The exactly soluble model of a train of zero-duration electromagnetic pulses interacting with a 1D atom with short-range interaction potential modelled by a δ-function is considered. The model is related to the up-to-date laser techniques providing the duration of pulses as short as a few attoseconds and the intensities higher than 1014 W/cm2.

  6. Introduction and overview to some topics in perturbative QCD and their relationship to non perturbative effects

    International Nuclear Information System (INIS)

    West, G.

    1990-01-01

    The main thrust of this talk is to review and discuss various topics in both perturbative and non-perturbative QCD that are, by and large, model independent. This inevitably means that we shall rely heavily on the renormalization group and asymptotic freedom. Although this usually means that one has to concentrate on high energy phenomena, there are some physical processes even involving bound states which are certainly highly non-perturbative, where one can make some progress without becoming overly model independent. Experience with the EMC effect, where there are about as many ''explanations'' as authors, has surely taught us that it may well be worth returning to ''basics'' and thinking about general properties of QCD rather than guessing, essentially arbitrarily, what we think is its low energy structure. No doubt we shall have to await further numerical progress or for some inspired theoretical insight before we can, with confidence, attack these extremely difficult problems. So, with this in mine, I shall review a smattering of problems which do have a non-perturbative component and where some rather modest progress can actually be made; I emphasize the adjective ''modest''exclamation point

  7. Effective field theory of cosmological perturbations

    International Nuclear Information System (INIS)

    Piazza, Federico; Vernizzi, Filippo

    2013-01-01

    The effective field theory of cosmological perturbations stems from considering a cosmological background solution as a state displaying spontaneous breaking of time translations and (adiabatic) perturbations as the related Nambu–Goldstone modes. With this insight, one can systematically develop a theory for the cosmological perturbations during inflation and, with minor modifications, also describe in full generality the gravitational interactions of dark energy, which are relevant for late-time cosmology. The formalism displays a unique set of Lagrangian operators containing an increasing number of cosmological perturbations and derivatives. We give an introductory description of the unitary gauge formalism for theories with broken gauge symmetry—that allows us to write down the most general Lagrangian—and of the Stückelberg ‘trick’—that allows to recover gauge invariance and to make the scalar field explicit. We show how to apply this formalism to gravity and cosmology and we reproduce the detailed analysis of the action in the ADM variables. We also review some basic applications to inflation and dark energy. (paper)

  8. Privacy Is Become with, Data Perturbation

    Science.gov (United States)

    Singh, Er. Niranjan; Singhai, Niky

    2011-06-01

    Privacy is becoming an increasingly important issue in many data mining applications that deal with health care, security, finance, behavior and other types of sensitive data. Is particularly becoming important in counterterrorism and homeland security-related applications. We touch upon several techniques of masking the data, namely random distortion, including the uniform and Gaussian noise, applied to the data in order to protect it. These perturbation schemes are equivalent to additive perturbation after the logarithmic Transformation. Due to the large volume of research in deriving private information from the additive noise perturbed data, the security of these perturbation schemes is questionable Many artificial intelligence and statistical methods exist for data analysis interpretation, Identifying and measuring the interestingness of patterns and rules discovered, or to be discovered is essential for the evaluation of the mined knowledge and the KDD process as a whole. While some concrete measurements exist, assessing the interestingness of discovered knowledge is still an important research issue. As the tool for the algorithm implementations we chose the language of choice in industrial world MATLAB.

  9. Effective field theory of cosmological perturbations

    Science.gov (United States)

    Piazza, Federico; Vernizzi, Filippo

    2013-11-01

    The effective field theory of cosmological perturbations stems from considering a cosmological background solution as a state displaying spontaneous breaking of time translations and (adiabatic) perturbations as the related Nambu-Goldstone modes. With this insight, one can systematically develop a theory for the cosmological perturbations during inflation and, with minor modifications, also describe in full generality the gravitational interactions of dark energy, which are relevant for late-time cosmology. The formalism displays a unique set of Lagrangian operators containing an increasing number of cosmological perturbations and derivatives. We give an introductory description of the unitary gauge formalism for theories with broken gauge symmetry—that allows us to write down the most general Lagrangian—and of the Stückelberg ‘trick’—that allows to recover gauge invariance and to make the scalar field explicit. We show how to apply this formalism to gravity and cosmology and we reproduce the detailed analysis of the action in the ADM variables. We also review some basic applications to inflation and dark energy.

  10. Perturbation of an exact strong gravity solution

    International Nuclear Information System (INIS)

    Baran, S.A.

    1982-10-01

    Perturbations of an exact strong gravity solution are investigated. It is shown, by using the new multipole expansions previously presented, that this exact and static spherically symmetric solution is stable under odd parity perturbations. (author)

  11. Remarks on theoretical hot-atom chemistry

    International Nuclear Information System (INIS)

    Inokuti, Mitio

    1993-01-01

    The publication of the 'Handbook of Hot Atom Chemistry', following the earlier volume 'Recent Trend and Application', was a major milestone in physical chemistry. Theoretical treatments of hot atom chemistry must address two classes of problems. The first class concerns the individual collisions of hot atoms with other atoms or molecules. The second class concerns the description of the consequences of the many collisions of hot atoms and their chemical environment. Most of the remarks pertain to the problems of the first class. The central issue is the adiabaticity of nuclear motions versus electronic motions. To be precise, any atomic core motion should be mentioned rather than pure nuclear motion, because tightly bound core electrons are largely irrelevant to the chemistry. When nuclear motions are sufficiently slow, or for other reasons that can be regarded as adiabatic, the collision problem is basically straightforward, therefore, interatomic and intermolecular forces can be assumed, and their consequences for nuclear motions are calculable in principle. In the case of non-adiabaticity being important, much more difficult problems arise, and it is briefly discussed, and the work by Phelps is cited. (K.I.)

  12. On the singular perturbations for fractional differential equation.

    Science.gov (United States)

    Atangana, Abdon

    2014-01-01

    The goal of this paper is to examine the possible extension of the singular perturbation differential equation to the concept of fractional order derivative. To achieve this, we presented a review of the concept of fractional calculus. We make use of the Laplace transform operator to derive exact solution of singular perturbation fractional linear differential equations. We make use of the methodology of three analytical methods to present exact and approximate solution of the singular perturbation fractional, nonlinear, nonhomogeneous differential equation. These methods are including the regular perturbation method, the new development of the variational iteration method, and the homotopy decomposition method.

  13. Microfluidic mixing through oscillatory transverse perturbations

    Science.gov (United States)

    Wu, J. W.; Xia, H. M.; Zhang, Y. Y.; Zhu, P.

    2018-05-01

    Fluid mixing in miniaturized fluidic devices is a challenging task. In this work, the mixing enhancement through oscillatory transverse perturbations coupling with divergent circular chambers is studied. To simplify the design, an autonomous microfluidic oscillator is used to produce the oscillatory flow. It is then applied to four side-channels that intersect with a central channel of constant flow. The mixing performance is tested at high fluid viscosities of up to 16 cP. Results show that the oscillatory flow can cause strong transverse perturbations which effectively enhance the mixing. The influence of a fluidic capacitor in the central channel is also examined, which at low viscosities can intensify the perturbations and further improve the mixing.

  14. Liquid-Arc/Spark-Excitation Atomic-Emission Spectroscopy

    Science.gov (United States)

    Schlagen, Kenneth J.

    1992-01-01

    Constituents of solutions identified in situ. Liquid-arc/spark-excitation atomic-emission spectroscopy (LAES) is experimental variant of atomic-emission spectroscopy in which electric arc or spark established in liquid and spectrum of light from arc or spark analyzed to identify chemical elements in liquid. Observations encourage development of LAES equipment for online monitoring of process streams in such industries as metal plating, electronics, and steel, and for online monitoring of streams affecting environment.

  15. Dynamic simulation of perturbation responses in a closed-loop virtual arm model.

    Science.gov (United States)

    Du, Yu-Fan; He, Xin; Lan, Ning

    2010-01-01

    A closed-loop virtual arm (VA) model has been developed in SIMULINK environment by adding spinal reflex circuits and propriospinal neural networks to the open-loop VA model developed in early study [1]. An improved virtual muscle model (VM4.0) is used to speed up simulation and to generate more precise recruitment of muscle force at low levels of muscle activation. Time delays in the reflex loops are determined by their synaptic connections and afferent transmission back to the spinal cord. Reflex gains are properly selected so that closed-loop responses are stable. With the closed-loop VA model, we are developing an approach to evaluate system behaviors by dynamic simulation of perturbation responses. Joint stiffness is calculated based on simulated perturbation responses by a least-squares algorithm in MATLAB. This method of dynamic simulation will be essential for further evaluation of feedforward and reflex control of arm movement and position.

  16. Topology of local atomic environments: implications for magnetism and superconductivity

    International Nuclear Information System (INIS)

    Bennett, L.H.; Watson, R.E.; Pearson, W.B.

    1985-01-01

    Wigner-Seitz cells have been constructed, as a function of atomic size, for a number of transition-metal alloys (SmCo 5 etc.) and a disclination network has been obtained from these. Magnetism in these alloys can be related to the disclination lines, much like the superexchange paths familiar in the magnetism of salts

  17. Perturbative QCD and exclusive processes

    International Nuclear Information System (INIS)

    Bennett, J.; Hawes, F.; Zhao, M.; Zyla, P.

    1991-01-01

    The authors discuss perturbation theory as applied to particle physics calculations. In particle physics one is generally interested in the scattering amplitude for a system going from some initial state to a final state. The intermediate state or states are unknown. To get the scattering amplitude it is necessary to sum the contributions from processes which pass through all possible intermediate states. Intermediate states involve the exchange of intermediate vector bosons between the particles, and with this interaction is associated a coupling constant α. Each additional boson exchange involves an additional contribution of α to the coupling. If α is less than 1, one can see that the relative contribution of higher order processes is less and less important as α falls. In QCD the gluons serve as the intermediate vector bosons exchanged by quarks and gluons, and the interaction constant is not really a constant, but depends upon the distance between the particles. At short distances the coupling is small, and one can assume perturbative expansions may converge rapidly. Exclusive scattering processes, as opposed to inclusive, are those in which all of the final state products are detected. The authors then discuss the application of perturbative QCD to the deuteron. The issues of chiral conservation and color transparancy are also discussed, in the scheme of large Q 2 interations, where perturbative QCD should be applicable

  18. Radioruthenium in the environment

    International Nuclear Information System (INIS)

    Iwashima, Kiyoshi; Morita, Shigeki.

    1979-01-01

    A change in the amount of radioruthenium in the environment (due to nuclear tests and drainage from atomic energy plants) and the exposure dose are discussed. The level of 106 Ru in the environment due to radioactive fallout, changes in the level, and the characteristics of these changes are reported. Pollution caused by 106 Ru in drainage from atomic energy plants, especially from the Windscale reprocessing factory in the United Kingdom (which release Ru in the greatest amount), changes in the amount of Ru released and in the levels of environmental pollution, and the movement of Ru in the environment are considered. The intake of Ru into the human body by consumption of food produced in polluted areas and by inspiration of Ru present in the air is estimated. (Tsunoda, M.)

  19. In-situ environmental (scanning) transmission electron microscopy of catalysts at the atomic level

    International Nuclear Information System (INIS)

    Gai, P L; Boyes, E D

    2014-01-01

    Observing reacting single atoms on the solid catalyst surfaces under controlled reaction conditions is a key goal in understanding and controlling heterogeneous catalytic reactions. In-situ real time aberration corrected environmental (scanning) transmission electron microscopy (E(S)TEM permit the direct imaging of dynamic surface and sub-surface structures of reacting catalysts. In this paper in-situ AC ETEM and AC ESTEM studies under controlled reaction environments of oxide catalysts and supported metal nanocatalysts important in chemical industry are presented. They provide the direct evidence of dynamic processes at the oxide catalyst surface at the atomic scale and single atom dynamics in catalytic reactions. The ESTEM studies of single atom dynamics in controlled reaction environments show that nanoparticles act as reservoirs of ad-atoms. The results have important implications in catalysis and nanoparticle studies

  20. Perturbative analysis of multiple-field cosmological inflation

    International Nuclear Information System (INIS)

    Lahiri, Joydev; Bhattacharya, Gautam

    2006-01-01

    We develop a general formalism for analyzing linear perturbations in multiple-field cosmological inflation based on the gauge-ready approach. Our inflationary model consists of an arbitrary number of scalar fields with non-minimal kinetic terms. We solve the equations for scalar- and tensor-type perturbations during inflation to the first order in slow roll, and then obtain the super-horizon solutions for adiabatic and isocurvature perturbations after inflation. Analytic expressions for power-spectra and spectral indices arising from multiple-field inflation are presented

  1. Environmental impact of atomic minerals exploration and exploitation

    International Nuclear Information System (INIS)

    Dwivedy, K.K.

    1998-01-01

    Terrestrial radiation in the earth's environment is existing since its formation and is shared by all types of rocks, minerals, gases, and water, and to some extent aided by the interstellar radiation. Environmental radiation is ubiquitous and the man and other living beings have been living in such environment for thousands of years. Today they are much concerned about health and environmental risks so that a balance must be achieved between the activities that promote economic growth and the preservation of the natural environment. Atomic minerals are one of the main sources of natural environmental radiation and they are being explored by Atomic Minerals Division (AMD). Mining and milling activities sometimes may cause some radiological impacts but proper monitoring and remedial measures keep them under check. Some of the important aspects related to environmental impacts of uranium exploration and exploitation are presented

  2. Fourth-order perturbative extension of the single-double excitation coupled-cluster method

    International Nuclear Information System (INIS)

    Derevianko, Andrei; Emmons, Erik D.

    2002-01-01

    Fourth-order many-body corrections to matrix elements for atoms with one valence electron are derived. The obtained diagrams are classified using coupled-cluster-inspired separation into contributions from n-particle excitations from the lowest-order wave function. The complete set of fourth-order diagrams involves only connected single, double, and triple excitations and disconnected quadruple excitations. Approximately half of the fourth-order diagrams are not accounted for by the popular coupled-cluster method truncated at single and double excitations (CCSD). Explicit formulas are tabulated for the entire set of fourth-order diagrams missed by the CCSD method and its linearized version, i.e., contributions from connected triple and disconnected quadruple excitations. A partial summation scheme of the derived fourth-order contributions to all orders of perturbation theory is proposed

  3. Perturbed angular correlation study of the ion exchange of indium into silicalite zeolites

    International Nuclear Information System (INIS)

    Ramallo-Lopez, J.M.; Requejo, F.G.; Renteria, M.; Bibiloni, A.G.; Miro, E.E.

    1999-01-01

    Two indium-containing silicalite zeolites (In/H-ZSM5) catalysts prepared by wet impregnation and ionic exchange were characterized by the Perturbed Angular Correlation (PAC) technique using 111 In as probe to determine the nature of the indium species. Some of these species take part in the catalytic reaction of the selective reduction (SCR) of NO x with methane. PAC experiments were performed at 500 deg. C in air before and after reduction-reoxidation treatments on the catalysts in order to determine the origin of the different hyperfine interactions and then the degree of ionic exchange. Complementary catalytic activity characterizations were also performed.PAC experiments performed on the catalyst obtained by wet impregnation showed that all In-atoms form In 2 O 3 crystallites while almost 70% of In-atoms form In 2 O 3 in the catalyst obtained by ionic exchange. The PAC experiments of both catalysts performed after the reduction-reoxidation treatment revealed the presence of two hyperfine interactions, different from those corresponding to indium in In 2 O 3 . These hyperfine interactions should be associated to disperse In species responsible of the catalytic activity located in the ionic exchange-sites of the zeolites

  4. Exact Controllability and Perturbation Analysis for Elastic Beams

    International Nuclear Information System (INIS)

    Moreles, Miguel Angel

    2004-01-01

    The Rayleigh beam is a perturbation of the Bernoulli-Euler beam. We establish convergence of the solution of the Exact Controllability Problem for the Rayleigh beam to the corresponding solution of the Bernoulli-Euler beam. Convergence is related to a Singular Perturbation Problem. The main tool in solving this perturbation problem is a weak version of a lower bound for hyperbolic polynomials

  5. Permutation-invariant distance between atomic configurations

    Science.gov (United States)

    Ferré, Grégoire; Maillet, Jean-Bernard; Stoltz, Gabriel

    2015-09-01

    We present a permutation-invariant distance between atomic configurations, defined through a functional representation of atomic positions. This distance enables us to directly compare different atomic environments with an arbitrary number of particles, without going through a space of reduced dimensionality (i.e., fingerprints) as an intermediate step. Moreover, this distance is naturally invariant through permutations of atoms, avoiding the time consuming associated minimization required by other common criteria (like the root mean square distance). Finally, the invariance through global rotations is accounted for by a minimization procedure in the space of rotations solved by Monte Carlo simulated annealing. A formal framework is also introduced, showing that the distance we propose verifies the property of a metric on the space of atomic configurations. Two examples of applications are proposed. The first one consists in evaluating faithfulness of some fingerprints (or descriptors), i.e., their capacity to represent the structural information of a configuration. The second application concerns structural analysis, where our distance proves to be efficient in discriminating different local structures and even classifying their degree of similarity.

  6. Permutation-invariant distance between atomic configurations

    International Nuclear Information System (INIS)

    Ferré, Grégoire; Maillet, Jean-Bernard; Stoltz, Gabriel

    2015-01-01

    We present a permutation-invariant distance between atomic configurations, defined through a functional representation of atomic positions. This distance enables us to directly compare different atomic environments with an arbitrary number of particles, without going through a space of reduced dimensionality (i.e., fingerprints) as an intermediate step. Moreover, this distance is naturally invariant through permutations of atoms, avoiding the time consuming associated minimization required by other common criteria (like the root mean square distance). Finally, the invariance through global rotations is accounted for by a minimization procedure in the space of rotations solved by Monte Carlo simulated annealing. A formal framework is also introduced, showing that the distance we propose verifies the property of a metric on the space of atomic configurations. Two examples of applications are proposed. The first one consists in evaluating faithfulness of some fingerprints (or descriptors), i.e., their capacity to represent the structural information of a configuration. The second application concerns structural analysis, where our distance proves to be efficient in discriminating different local structures and even classifying their degree of similarity

  7. Modeling Small-Amplitude Perturbations in Inertial Confinement Fusion Pellets

    Science.gov (United States)

    Zalesak, Steven; Metzler, N.; Velikovich, A. L.; Gardner, J. H.; Manheimer, W.

    2005-10-01

    Recent advances in inertial confinement fusion (ICF) technology serve to ensure that imploding laser-driven ICF pellets will spend a significantly larger portion of their time in what is regarded as the ``linear'' portion of their perturbation evolution, i.e., in the presence of small-amplitude but nonetheless evolving perturbations. Since the evolution of these linear perturbations collectively form the initial conditions for the subsequent nonlinear evolution of the pellet, which in turn determines the energy yield of the pellet, the accurate numerical modeling of these small-amplitude perturbations has taken on an increased importance. This modeling is difficult despite the expected linear evolution of the perturbations themselves, because these perturbations are embedded in a highly nonlinear, strongly-shocked, and highly complex flow field which in and of itself stresses numerical computation capabilities, and whose simulation often employs numerical techniques which were not designed with the proper treatment of small-amplitude perturbations in mind. In this paper we will review some of the techniques that we have recently found to be of use toward this end.

  8. Cosmological perturbations on the phantom brane

    Energy Technology Data Exchange (ETDEWEB)

    Bag, Satadru; Sahni, Varun [Inter-University Centre for Astronomy and Astrophysics, Pune (India); Viznyuk, Alexander; Shtanov, Yuri, E-mail: satadru@iucaa.in, E-mail: viznyuk@bitp.kiev.ua, E-mail: shtanov@bitp.kiev.ua, E-mail: varun@iucaa.in [Bogolyubov Institute for Theoretical Physics, Kiev 03680 (Ukraine)

    2016-07-01

    We obtain a closed system of equations for scalar perturbations in a multi-component braneworld. Our braneworld possesses a phantom-like equation of state at late times, w {sub eff} < −1, but no big-rip future singularity. In addition to matter and radiation, the braneworld possesses a new effective degree of freedom—the 'Weyl fluid' or 'dark radiation'. Setting initial conditions on super-Hubble spatial scales at the epoch of radiation domination, we evolve perturbations of radiation, pressureless matter and the Weyl fluid until the present epoch. We observe a gradual decrease in the amplitude of the Weyl-fluid perturbations after Hubble-radius crossing, which results in a negligible effect of the Weyl fluid on the evolution of matter perturbations on spatial scales relevant for structure formation. Consequently, the quasi-static approximation of Koyama and Maartens provides a good fit to the exact results during the matter-dominated epoch. We find that the late-time growth of density perturbations on the brane proceeds at a faster rate than in ΛCDM. Additionally, the gravitational potentials Φ and Ψ evolve differently on the brane than in ΛCDM, for which Φ = Ψ. On the brane, by contrast, the ratio Φ/Ψ exceeds unity during the late matter-dominated epoch ( z ∼< 50). These features emerge as smoking gun tests of phantom brane cosmology and allow predictions of this scenario to be tested against observations of galaxy clustering and large-scale structure.

  9. Converting entropy to curvature perturbations after a cosmic bounce

    Energy Technology Data Exchange (ETDEWEB)

    Fertig, Angelika; Lehners, Jean-Luc; Mallwitz, Enno; Wilson-Ewing, Edward [Max Planck Institute for Gravitational Physics, Albert Einstein Institute,14476 Potsdam-Golm (Germany)

    2016-10-04

    We study two-field bouncing cosmologies in which primordial perturbations are created in either an ekpyrotic or a matter-dominated contraction phase. We use a non-singular ghost condensate bounce model to follow the perturbations through the bounce into the expanding phase of the universe. In contrast to the adiabatic perturbations, which on large scales are conserved across the bounce, entropy perturbations can grow significantly during the bounce phase. If they are converted into adiabatic/curvature perturbations after the bounce, they typically form the dominant contribution to the observed temperature fluctuations in the microwave background, which can have several beneficial implications. For ekpyrotic models, this mechanism loosens the constraints on the amplitude of the ekpyrotic potential while naturally suppressing the intrinsic amount of non-Gaussianity. For matter bounce models, the mechanism amplifies the scalar perturbations compared to the associated primordial gravitational waves.

  10. Perturbations of ultralight vector field dark matter

    Energy Technology Data Exchange (ETDEWEB)

    Cembranos, J.A.R.; Maroto, A.L.; Jareño, S.J. Núñez [Departamento de Física Teórica I, Universidad Complutense de Madrid, E-28040 Madrid (Spain)

    2017-02-13

    We study the dynamics of cosmological perturbations in models of dark matter based on ultralight coherent vector fields. Very much as for scalar field dark matter, we find two different regimes in the evolution: for modes with k{sup 2}≪Hma, we have a particle-like behaviour indistinguishable from cold dark matter, whereas for modes with k{sup 2}≫Hma, we get a wave-like behaviour in which the sound speed is non-vanishing and of order c{sub s}{sup 2}≃k{sup 2}/m{sup 2}a{sup 2}. This implies that, also in these models, structure formation could be suppressed on small scales. However, unlike the scalar case, the fact that the background evolution contains a non-vanishing homogeneous vector field implies that, in general, the evolution of the three kinds of perturbations (scalar, vector and tensor) can no longer be decoupled at the linear level. More specifically, in the particle regime, the three types of perturbations are actually decoupled, whereas in the wave regime, the three vector field perturbations generate one scalar-tensor and two vector-tensor perturbations in the metric. Also in the wave regime, we find that a non-vanishing anisotropic stress is present in the perturbed energy-momentum tensor giving rise to a gravitational slip of order (Φ−Ψ)/Φ∼c{sub s}{sup 2}. Moreover in this regime the amplitude of the tensor to scalar ratio of the scalar-tensor modes is also h/Φ∼c{sub s}{sup 2}. This implies that small-scale density perturbations are necessarily associated to the presence of gravity waves in this model. We compare their spectrum with the sensitivity of present and future gravity waves detectors.

  11. Computer fan performance enhancement via acoustic perturbations

    Energy Technology Data Exchange (ETDEWEB)

    Greenblatt, David, E-mail: davidg@technion.ac.il [Faculty of Mechanical Engineering, Technion - Israel Institute of Technology, Haifa (Israel); Avraham, Tzahi; Golan, Maayan [Faculty of Mechanical Engineering, Technion - Israel Institute of Technology, Haifa (Israel)

    2012-04-15

    Highlights: Black-Right-Pointing-Pointer Computer fan effectiveness was increased by introducing acoustic perturbations. Black-Right-Pointing-Pointer Acoustic perturbations controlled blade boundary layer separation. Black-Right-Pointing-Pointer Optimum frequencies corresponded with airfoils studies. Black-Right-Pointing-Pointer Exploitation of flow instabilities was responsible for performance improvements. Black-Right-Pointing-Pointer Peak pressure and peak flowrate were increased by 40% and 15% respectively. - Abstract: A novel technique for increasing computer fan effectiveness, based on introducing acoustic perturbations onto the fan blades to control boundary layer separation, was assessed. Experiments were conducted in a specially designed facility that simultaneously allowed characterization of fan performance and introduction of the perturbations. A parametric study was conducted to determine the optimum control parameters, namely those that deliver the largest increase in fan pressure for a given flowrate. The optimum reduced frequencies corresponded with those identified on stationary airfoils and it was thus concluded that the exploitation of Kelvin-Helmholtz instabilities, commonly observed on airfoils, was responsible for the fan blade performance improvements. The optimum control inputs, such as acoustic frequency and sound pressure level, showed some variation with different fan flowrates. With the near-optimum control conditions identified, the full operational envelope of the fan, when subjected to acoustic perturbations, was assessed. The peak pressure and peak flowrate were increased by up to 40% and 15% respectively. The peak fan efficiency increased with acoustic perturbations but the overall system efficiency was reduced when the speaker input power was accounted for.

  12. Computer fan performance enhancement via acoustic perturbations

    International Nuclear Information System (INIS)

    Greenblatt, David; Avraham, Tzahi; Golan, Maayan

    2012-01-01

    Highlights: ► Computer fan effectiveness was increased by introducing acoustic perturbations. ► Acoustic perturbations controlled blade boundary layer separation. ► Optimum frequencies corresponded with airfoils studies. ► Exploitation of flow instabilities was responsible for performance improvements. ► Peak pressure and peak flowrate were increased by 40% and 15% respectively. - Abstract: A novel technique for increasing computer fan effectiveness, based on introducing acoustic perturbations onto the fan blades to control boundary layer separation, was assessed. Experiments were conducted in a specially designed facility that simultaneously allowed characterization of fan performance and introduction of the perturbations. A parametric study was conducted to determine the optimum control parameters, namely those that deliver the largest increase in fan pressure for a given flowrate. The optimum reduced frequencies corresponded with those identified on stationary airfoils and it was thus concluded that the exploitation of Kelvin–Helmholtz instabilities, commonly observed on airfoils, was responsible for the fan blade performance improvements. The optimum control inputs, such as acoustic frequency and sound pressure level, showed some variation with different fan flowrates. With the near-optimum control conditions identified, the full operational envelope of the fan, when subjected to acoustic perturbations, was assessed. The peak pressure and peak flowrate were increased by up to 40% and 15% respectively. The peak fan efficiency increased with acoustic perturbations but the overall system efficiency was reduced when the speaker input power was accounted for.

  13. Monte Carlo technique for local perturbations in multiplying systems

    International Nuclear Information System (INIS)

    Bernnat, W.

    1974-01-01

    The use of the Monte Carlo method for the calculation of reactivity perturbations in multiplying systems due to changes in geometry or composition requires a correlated sampling technique to make such calculations economical or in the case of very small perturbations even feasible. The technique discussed here is suitable for local perturbations. Very small perturbation regions will be treated by an adjoint mode. The perturbation of the source distribution due to the changed system and its reaction on the reactivity worth or other values of interest is taken into account by a fission matrix method. The formulation of the method and its application are discussed. 10 references. (U.S.)

  14. Manipulating collective quantum states of ultracold atoms by probing

    DEFF Research Database (Denmark)

    Wade, Andrew Christopher James

    2015-01-01

    The field of cold gases has grown dramatically over the past few decades. The exquisite experimental control of their environment and properties has lead to landmark achievements, and has motivated the pursuit of quantum technologies with ultracold atoms. At the same time, the theory of measureme......The field of cold gases has grown dramatically over the past few decades. The exquisite experimental control of their environment and properties has lead to landmark achievements, and has motivated the pursuit of quantum technologies with ultracold atoms. At the same time, the theory...... of measurements on quantum systems has grown into a well established field. Experimental demonstrations of nondestructive continuous measurements on individual quantum systems now occur in many laboratories. Such experiments with ultracold atoms have shown great progress, but the exploitation of the quantum...... nature of the measurement interaction and backaction is yet to be realised. This dissertation is concerned with ultracold atoms and their control via fully quantum mechanical probes. Nonclassical, squeezed and entangled states of matter and single photon sources are important for fundamental studies...

  15. Coupling-parameter expansion in thermodynamic perturbation theory.

    Science.gov (United States)

    Ramana, A Sai Venkata; Menon, S V G

    2013-02-01

    An approach to the coupling-parameter expansion in the liquid state theory of simple fluids is presented by combining the ideas of thermodynamic perturbation theory and integral equation theories. This hybrid scheme avoids the problems of the latter in the two phase region. A method to compute the perturbation series to any arbitrary order is developed and applied to square well fluids. Apart from the Helmholtz free energy, the method also gives the radial distribution function and the direct correlation function of the perturbed system. The theory is applied for square well fluids of variable ranges and compared with simulation data. While the convergence of perturbation series and the overall performance of the theory is good, improvements are needed for potentials with shorter ranges. Possible directions for further developments in the coupling-parameter expansion are indicated.

  16. Stability under persistent perturbation by white noise

    International Nuclear Information System (INIS)

    Kalyakin, L

    2014-01-01

    Deterministic dynamical system which has an asymptotical stable equilibrium is considered under persistent perturbation by white noise. It is well known that if the perturbation does not vanish in the equilibrium position then there is not Lyapunov's stability. The trajectories of the perturbed system diverge from the equilibrium to arbitrarily large distances with probability 1 in finite time. New concept of stability on a large time interval is discussed. The length of interval agrees the reciprocal quantity of the perturbation parameter. The measure of stability is the expectation of the square distance from the trajectory till the equilibrium position. The method of parabolic equation is applied to both estimate the expectation and prove such stability. The main breakthrough is the barrier function derived for the parabolic equation. The barrier is constructed by using the Lyapunov function of the unperturbed system

  17. Prospects of inflation with perturbed throat geometry

    International Nuclear Information System (INIS)

    Ali, Amna; Chingangbam, R.; Panda, Sudhakar; Sami, M.

    2009-01-01

    We study brane inflation in a warped deformed conifold background that includes general possible corrections to the throat geometry sourced by coupling to the bulk of a compact Calabi-Yau space. We focus specifically, on the perturbation by chiral operator of dimension 3/2 in the CFT. We find that the effective potential in this case can give rise to required number of e-foldings and the spectral index n S consistent with observation. The tensor to scalar ratio of perturbations is generally very low in this scenario. The COBE normalization, however, poses certain difficulties which can be circumvented provided model parameters are properly fine tuned. We find the numerical values of parameters which can give rise to enough inflation, observationally consistent values of density perturbations, scalar to tensor ratio of perturbations and the spectral index n S .

  18. Non-perturbative materialization of ghosts

    International Nuclear Information System (INIS)

    Emparan, Roberto; Garriga, Jaume

    2006-01-01

    In theories with a hidden ghost sector that couples to visible matter through gravity only, empty space can decay into ghosts and ordinary matter by graviton exchange. Perturbatively, such processes can be very slow provided that the gravity sector violates Lorentz invariance above some cut-off scale. Here, we investigate non-perturbative decay processes involving ghosts, such as the spontaneous creation of self-gravitating lumps of ghost matter, as well as pairs of Bondi dipoles (i.e. lumps of ghost matter chasing after positive energy objects). We find the corresponding instantons and calculate their Euclidean action. In some cases, the instantons induce topology change or have negative Euclidean action. To shed some light on the meaning of such peculiarities, we also consider the nucleation of concentrical domain walls of ordinary and ghost matter, where the Euclidean calculation can be compared with the canonical (Lorentzian) description of tunneling. We conclude that non-perturbative ghost nucleation processes can be safely suppressed in phenomenological scenarios

  19. Non-Perturbative Quantum Geometry III

    CERN Document Server

    Krefl, Daniel

    2016-08-02

    The Nekrasov-Shatashvili limit of the refined topological string on toric Calabi-Yau manifolds and the resulting quantum geometry is studied from a non-perturbative perspective. The quantum differential and thus the quantum periods exhibit Stockes phenomena over the combined string coupling and quantized Kaehler moduli space. We outline that the underlying formalism of exact quantization is generally applicable to points in moduli space featuring massless hypermultiplets, leading to non-perturbative band splitting. Our prime example is local P1xP1 near a conifold point in moduli space. In particular, we will present numerical evidence that in a Stockes chamber of interest the string based quantum geometry reproduces the non-perturbative corrections for the Nekrasov-Shatashvili limit of 4d supersymmetric SU(2) gauge theory at strong coupling found in the previous part of this series. A preliminary discussion of local P2 near the conifold point in moduli space is also provided.

  20. Externalities of energy and atomic power

    International Nuclear Information System (INIS)

    2006-09-01

    Energy technology ensures not only energy supply but also has great impacts on society and environments. Economical value and effect evaluation alone doesn't mean appropriate so the evaluation of 'externalities' should be appreciated. In order to assess atomic power in this context, the Atomic Energy Society of Japan set up a research committee on 'externalities of energy and atomic power' from April 2002 to March 2006, whose activities were described in this report. In addition to environmental effects and environmental externalities, four areas were newly studied as follows: (1) biological effects of low dose rate exposure and externalities, (2) externalities as social/economical effects including stable supply and security, (3) energy technologies evaluation and (4) social choice and decision-making. (T. Tanaka)

  1. Mass generation in perturbed massless integrable models

    International Nuclear Information System (INIS)

    Controzzi, D.; Mussardo, G.

    2005-01-01

    We extend form-factor perturbation theory to non-integrable deformations of massless integrable models, in order to address the problem of mass generation in such systems. With respect to the standard renormalisation group analysis this approach is more suitable for studying the particle content of the perturbed theory. Analogously to the massive case, interesting information can be obtained already at first order, such as the identification of the operators which create a mass gap and those which induce the confinement of the massless particles in the perturbed theory

  2. On perturbation theory for distance dependent statistics.

    Energy Technology Data Exchange (ETDEWEB)

    Mashkevich, S V

    1994-12-31

    It is known that perturbation theory for anyons has to be modified near Bose statistics in order to get correct finite results. For ``distance dependent statistics`` or anyons with smeared flux tubes, perturbation theory is in principle applicable directly but gives results which hold for too small values of the statistical parameter and, in particular, are not valid as the flux tube radius tends to zero. In this paper we discuss the way to modify perturbation theory for this situation, which allows to obtain the appropriate results. (author). 6 refs.

  3. Non-adiabatic perturbations in Ricci dark energy model

    International Nuclear Information System (INIS)

    Karwan, Khamphee; Thitapura, Thiti

    2012-01-01

    We show that the non-adiabatic perturbations between Ricci dark energy and matter can grow both on superhorizon and subhorizon scales, and these non-adiabatic perturbations on subhorizon scales can lead to instability in this dark energy model. The rapidly growing non-adiabatic modes on subhorizon scales always occur when the equation of state parameter of dark energy starts to drop towards -1 near the end of matter era, except that the parameter α of Ricci dark energy equals to 1/2. In the case where α = 1/2, the rapidly growing non-adiabatic modes disappear when the perturbations in dark energy and matter are adiabatic initially. However, an adiabaticity between dark energy and matter perturbations at early time implies a non-adiabaticity between matter and radiation, this can influence the ordinary Sachs-Wolfe (OSW) effect. Since the amount of Ricci dark energy is not small during matter domination, the integrated Sachs-Wolfe (ISW) effect is greatly modified by density perturbations of dark energy, leading to a wrong shape of CMB power spectrum. The instability in Ricci dark energy is difficult to be alleviated if the effects of coupling between baryon and photon on dark energy perturbations are included

  4. Non-linear perturbations of a spherically collapsing star

    International Nuclear Information System (INIS)

    Brizuela, David

    2009-01-01

    Linear perturbation theory has been a successful tool in General Relativity, and can be considered as complementary to full nonlinear simulations. Going to second and higher perturbative orders improves the approximation and offers a controlled way to analyze the nonlinearities of the theory, though the problem becomes much harder computationally. We present a systematic approach to the treatment of high order metric perturbations, focusing on the scenario of nonspherical perturbations of a dynamical spherical background. It is based on the combination of adapted geometrical variables and the use of efficient computer algebra techniques. After dealing with a number of theoretical issues, like the construction of gauge invariants, we apply the formalism to the particular case of a perfect fluid star surrounded by a vacuum exterior. We describe the regularization of the divergences of the perturbations at null infinity and the matching conditions through the surface of the star.

  5. Duality between QCD perturbative series and power corrections

    International Nuclear Information System (INIS)

    Narison, S.; Zakharov, V.I.

    2009-01-01

    We elaborate on the relation between perturbative and power-like corrections to short-distance sensitive QCD observables. We confront theoretical expectations with explicit perturbative calculations existing in literature. As is expected, the quadratic correction is dual to a long perturbative series and one should use one of them but not both. However, this might be true only for very long perturbative series, with number of terms needed in most cases exceeding the number of terms available. What has not been foreseen, the quartic corrections might also be dual to the perturbative series. If confirmed, this would imply a crucial modification of the dogma. We confront this quadratic correction against existing phenomenology (QCD (spectral) sum rules scales, determinations of light quark masses and of α s from τ-decay). We find no contradiction and (to some extent) better agreement with the data and with recent lattice calculations.

  6. Duality between QCD perturbative series and power corrections

    Energy Technology Data Exchange (ETDEWEB)

    Narison, S. [Laboratoire de Physique Theorique et Astroparticules, CNRS-IN2P3 and Universite de Montpellier II, Case 070, Place Eugene, 34095 Montpellier Cedex 05 (France)], E-mail: snarison@yahoo.fr; Zakharov, V.I. [Max-Planck-Institut fuer Physik, Foehringer Ring 6, 80805 Munich (Germany); Institute of Theoretical and Experimental Physics, B. Cheremushkinskaya 25, Moscow 117218 (Russian Federation)], E-mail: xxz@mppmu.mpg.de

    2009-08-31

    We elaborate on the relation between perturbative and power-like corrections to short-distance sensitive QCD observables. We confront theoretical expectations with explicit perturbative calculations existing in literature. As is expected, the quadratic correction is dual to a long perturbative series and one should use one of them but not both. However, this might be true only for very long perturbative series, with number of terms needed in most cases exceeding the number of terms available. What has not been foreseen, the quartic corrections might also be dual to the perturbative series. If confirmed, this would imply a crucial modification of the dogma. We confront this quadratic correction against existing phenomenology (QCD (spectral) sum rules scales, determinations of light quark masses and of {alpha}{sub s} from {tau}-decay). We find no contradiction and (to some extent) better agreement with the data and with recent lattice calculations.

  7. Atomic orbital-based SOS-MP2 with tensor hypercontraction. I. GPU-based tensor construction and exploiting sparsity

    Energy Technology Data Exchange (ETDEWEB)

    Song, Chenchen; Martínez, Todd J. [Department of Chemistry and the PULSE Institute, Stanford University, Stanford, California 94305 (United States); SLAC National Accelerator Laboratory, Menlo Park, California 94025 (United States)

    2016-05-07

    We present a tensor hypercontracted (THC) scaled opposite spin second order Møller-Plesset perturbation theory (SOS-MP2) method. By using THC, we reduce the formal scaling of SOS-MP2 with respect to molecular size from quartic to cubic. We achieve further efficiency by exploiting sparsity in the atomic orbitals and using graphical processing units (GPUs) to accelerate integral construction and matrix multiplication. The practical scaling of GPU-accelerated atomic orbital-based THC-SOS-MP2 calculations is found to be N{sup 2.6} for reference data sets of water clusters and alanine polypeptides containing up to 1600 basis functions. The errors in correlation energy with respect to density-fitting-SOS-MP2 are less than 0.5 kcal/mol for all systems tested (up to 162 atoms).

  8. Atomic orbital-based SOS-MP2 with tensor hypercontraction. I. GPU-based tensor construction and exploiting sparsity.

    Science.gov (United States)

    Song, Chenchen; Martínez, Todd J

    2016-05-07

    We present a tensor hypercontracted (THC) scaled opposite spin second order Møller-Plesset perturbation theory (SOS-MP2) method. By using THC, we reduce the formal scaling of SOS-MP2 with respect to molecular size from quartic to cubic. We achieve further efficiency by exploiting sparsity in the atomic orbitals and using graphical processing units (GPUs) to accelerate integral construction and matrix multiplication. The practical scaling of GPU-accelerated atomic orbital-based THC-SOS-MP2 calculations is found to be N(2.6) for reference data sets of water clusters and alanine polypeptides containing up to 1600 basis functions. The errors in correlation energy with respect to density-fitting-SOS-MP2 are less than 0.5 kcal/mol for all systems tested (up to 162 atoms).

  9. On the Singular Perturbations for Fractional Differential Equation

    Directory of Open Access Journals (Sweden)

    Abdon Atangana

    2014-01-01

    Full Text Available The goal of this paper is to examine the possible extension of the singular perturbation differential equation to the concept of fractional order derivative. To achieve this, we presented a review of the concept of fractional calculus. We make use of the Laplace transform operator to derive exact solution of singular perturbation fractional linear differential equations. We make use of the methodology of three analytical methods to present exact and approximate solution of the singular perturbation fractional, nonlinear, nonhomogeneous differential equation. These methods are including the regular perturbation method, the new development of the variational iteration method, and the homotopy decomposition method.

  10. Perturbation expansions of stochastic wavefunctions for open quantum systems

    Science.gov (United States)

    Ke, Yaling; Zhao, Yi

    2017-11-01

    Based on the stochastic unravelling of the reduced density operator in the Feynman path integral formalism for an open quantum system in touch with harmonic environments, a new non-Markovian stochastic Schrödinger equation (NMSSE) has been established that allows for the systematic perturbation expansion in the system-bath coupling to arbitrary order. This NMSSE can be transformed in a facile manner into the other two NMSSEs, i.e., non-Markovian quantum state diffusion and time-dependent wavepacket diffusion method. Benchmarked by numerically exact results, we have conducted a comparative study of the proposed method in its lowest order approximation, with perturbative quantum master equations in the symmetric spin-boson model and the realistic Fenna-Matthews-Olson complex. It is found that our method outperforms the second-order time-convolutionless quantum master equation in the whole parameter regime and even far better than the fourth-order in the slow bath and high temperature cases. Besides, the method is applicable on an equal footing for any kind of spectral density function and is expected to be a powerful tool to explore the quantum dynamics of large-scale systems, benefiting from the wavefunction framework and the time-local appearance within a single stochastic trajectory.

  11. Semiempirical calculation of van der Waals coefficients for alkali-metal and alkaline-earth-metal atoms

    International Nuclear Information System (INIS)

    Mitroy, J.; Bromley, M.W.J.

    2003-01-01

    The van der Waals coefficients, C 6 , C 8 , and C 10 for the alkali-metal (Li, Na, K, and Rb) and alkaline-earth-metal (Be, Mg, Ca, and Sr) atoms are estimated by a combination of ab initio and semiempirical methods. Polarizabilities and atom-wall coefficients are given as a diagnostic check, and the lowest order nonadiabatic dispersion coefficient, D 8 and the three-body coefficient, C 9 are also presented. The dispersion coefficients are in agreement with the available relativistic many-body perturbation theory calculations. The contribution from the core was included by using constrained sum rules involving the core polarizability and Hartree-Fock expectation values to estimate the f-value distribution

  12. Singularly perturbed volterra integro-differential equations | Bijura ...

    African Journals Online (AJOL)

    Several investigations have been made on singularly perturbed integral equations. This paper aims at presenting an algorithm for the construction of asymptotic solutions and then provide a proof asymptotic correctness to singularly perturbed systems of Volterra integro-differential equations. Mathematics Subject

  13. MCNP perturbation technique for criticality analysis

    International Nuclear Information System (INIS)

    McKinney, G.W.; Iverson, J.L.

    1995-01-01

    The differential operator perturbation technique has been incorporated into the Monte Carlo N-Particle transport code MCNP and will become a standard feature of future releases. This feature includes first and/or second order terms of the Taylor Series expansion for response perturbations related to cross-section data (i.e., density, composition, etc.). Criticality analyses can benefit from this technique in that predicted changes in the track-length tally estimator of K eff may be obtained for multiple perturbations in a single run. A key advantage of this method is that a precise estimate of a small change in response (i.e., < 1%) is easily obtained. This technique can also offer acceptable accuracy, to within a few percent, for up to 20-30% changes in a response

  14. Boundary Layer Instabilities Generated by Freestream Laser Perturbations

    Science.gov (United States)

    Chou, Amanda; Schneider, Steven P.

    2015-01-01

    A controlled, laser-generated, freestream perturbation was created in the freestream of the Boeing/AFOSR Mach-6 Quiet Tunnel (BAM6QT). The freestream perturbation convected downstream in the Mach-6 wind tunnel to interact with a flared cone model. The geometry of the flared cone is a body of revolution bounded by a circular arc with a 3-meter radius. Fourteen PCB 132A31 pressure transducers were used to measure a wave packet generated in the cone boundary layer by the freestream perturbation. This wave packet grew large and became nonlinear before experiencing natural transition in quiet flow. Breakdown of this wave packet occurred when the amplitude of the pressure fluctuations was approximately 10% of the surface pressure for a nominally sharp nosetip. The initial amplitude of the second mode instability on the blunt flared cone is estimated to be on the order of 10 -6 times the freestream static pressure. The freestream laser-generated perturbation was positioned upstream of the model in three different configurations: on the centerline, offset from the centerline by 1.5 mm, and offset from the centerline by 3.0 mm. When the perturbation was offset from the centerline of a blunt flared cone, a larger wave packet was generated on the side toward which the perturbation was offset. The offset perturbation did not show as much of an effect on the wave packet on a sharp flared cone as it did on a blunt flared cone.

  15. Non-local electron transport through normal and topological ladder-like atomic systems

    Science.gov (United States)

    Kurzyna, Marcin; Kwapiński, Tomasz

    2018-05-01

    We propose a locally protected ladder-like atomic system (nanoconductor) on a substrate that is insensitive to external perturbations. The system corresponds to coupled atomic chains fabricated on different surfaces. Electron transport properties of such conductors are studied theoretically using the model tight-binding Su-Schriffer-Hegger (SSH) Hamiltonian and Green's function formalism. We have found that the conductance of the system is almost insensitive to single adatoms and oscillates as a function of the side chain length with very large periods. Non-local character of the electron transport was observed also for topological SSH chains where nontrivial end states survive in the presence of disturbances as well as for different substrates. We have found that the careful inspection of the density of states or charge waves can provide the information about the atom energy levels and hopping amplitudes. Moreover, the ladder-like geometry allows one to distinguish between normal and topological zero-energy states. It is important that topological chains do not reveal Friedel oscillations which are observed in non-topological chains.

  16. Cosmological perturbations from quantum fluctuations to large scale structure

    International Nuclear Information System (INIS)

    Bardeen, J.M.

    1988-01-01

    Classical perturbation theory is developed from the 3 + 1 form of the Einstein equations. A somewhat unusual form of the perturbation equations in the synchronous gauge is recommended for carrying out computations, but interpretation is based on certain hypersurface-invariant combinations of the variables. The formalism is used to analyze the origin of density perturbations from quantum fluctuations during inflation, with particular emphasis on dealing with 'double inflation' and deviations from the Zel'dovich spectrum. The evolution of the density perturbation to the present gives the final density perturbation power spectrum, whose relationship to observed large scale structure is discussed in the context of simple cold-dark-matter biasing schemes. 86 refs

  17. Atom-surface potentials and atom interferometry

    International Nuclear Information System (INIS)

    Babb, J.F.

    1998-01-01

    Long-range atom-surface potentials characterize the physics of many actual systems and are now measurable spectroscopically in deflection of atomic beams in cavities or in reflection of atoms in atomic fountains. For a ground state, spherically symmetric atom the potential varies as -1/R 3 near the wall, where R is the atom-surface distance. For asymptotically large distances the potential is weaker and goes as -1/R 4 due to retardation arising from the finite speed of light. This diminished interaction can also be interpreted as a Casimir effect. The possibility of measuring atom-surface potentials using atomic interferometry is explored. The particular cases studied are the interactions of a ground-state alkali-metal atom and a dielectric or a conducting wall. Accurate descriptions of atom-surface potentials in theories of evanescent-wave atomic mirrors and evanescent wave-guided atoms are also discussed. (author)

  18. Euclidean null controllability of perturbed infinite delay systems with ...

    African Journals Online (AJOL)

    Euclidean null controllability of perturbed infinite delay systems with limited control. ... Open Access DOWNLOAD FULL TEXT ... The results are established by placing conditions on the perturbation function which guarantee that, if the linear control base system is completely Euclidean controllable, then the perturbed system ...

  19. de Sitter limit of inflation and nonlinear perturbation theory

    DEFF Research Database (Denmark)

    R. Jarnhus, Philip; Sloth, Martin Snoager

    2007-01-01

    We study the fourth order action of the comoving curvature perturbation in an inflationary universe in order to understand more systematically the de Sitter limit in nonlinear cosmological perturbation theory. We derive the action of the curvature perturbation to fourth order in the comoving gaug...

  20. New Approaches and Applications for Monte Carlo Perturbation Theory

    Energy Technology Data Exchange (ETDEWEB)

    Aufiero, Manuele; Bidaud, Adrien; Kotlyar, Dan; Leppänen, Jaakko; Palmiotti, Giuseppe; Salvatores, Massimo; Sen, Sonat; Shwageraus, Eugene; Fratoni, Massimiliano

    2017-02-01

    This paper presents some of the recent and new advancements in the extension of Monte Carlo Perturbation Theory methodologies and application. In particular, the discussed problems involve Brunup calculation, perturbation calculation based on continuous energy functions, and Monte Carlo Perturbation Theory in loosely coupled systems.