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Sample records for relativistic configuration-interaction calculation

  1. Relativistic configuration interaction approach

    Indian Academy of Sciences (India)

    level of reliability and accuracy in accounting for both relativistic and correlation effects associated with these properties has gained importance. In this paper, we will compute one of the P, ... this procedure provides reasonable accuracy with small computational cost. Titov and co-workers have also reported the result of Wd.

  2. Relativistic configuration-interaction calculations for atoms with one valence electron based on altering hydrogenlike or Dirac-Fock spin orbitals

    Science.gov (United States)

    Głowacki, Leszek

    2015-12-01

    Relativistic configuration-interaction calculations using hydrogenlike or Dirac-Fock spin orbitals of the transition from the ground state to some n p1 /2 , n p3 /2 low-lying excited states for the alkali metals are presented. In these calculations each virtual spin orbital corresponds to a unique noninteger atomic number determined iteratively using the virtual-particle model. The virtual-particle model based on "condensed-space" idea is here adopted to many electron systems consisting of a single valence electron and the core. The transition energy and the oscillator strength values were computed for sodium, potassium, rubidium, cesium, and francium. Both hydrogenlike and Dirac-Fock basis functions have been used in the computations for comparison.

  3. Extended relativistic configuration interaction and many-body perturbation calculations of spectroscopic data for the $n \\leq 6$ configurationsin ne-like ions between Cr XV and Kr XXVII

    CERN Document Server

    Wang, Kai; Si, Ran; Jönsson, Per; Ekman, Jörgen; Guo, Xue Lin; Li, Shuang; Long, Fei Yun; Dang, Wei; Zhao, Xiao Hui; Hutton, Roger; Chen, Chong Yang; Yan, Jan; Yang, Xu

    2016-01-01

    Level energies, wavelengths, electric dipole, magnetic dipole, electric quadrupole, and magnetic quadrupole transition rates, oscillator strengths, and line strengths from combined relativistic configuration interaction and many-body perturbation calculations are reported for the 201 fine-structure states of the $2s^2 2p^6$, $2s^2 2p^5 3l$, $2s 2p^6 3l$, $2s^2 2p^5 4l$, $2s 2p^6 4l$, $2s^2 2p^5 5l$, and $2s^2 2p^5 6l$ configurations in all Ne-like ions between Cr XV and Kr XXVII. Calculated level energies and transition data are compared with experiments from the NIST and CHIANTI databases, and other recent benchmark calculations. The mean energy difference with the NIST experiments is only 0.05%. The present calculations significantly increase the amount of accurate spectroscopic data for the $n >3$ states in a number of Ne-like ions of astrophysics interest. A complete dataset should be helpful in analyzing new observations from the solar and other astrophysical sources, and is also likely to be useful for ...

  4. Photoabsorption in sodium clusters: first principles configuration interaction calculations

    Science.gov (United States)

    Priya, Pradip Kumar; Rai, Deepak Kumar; Shukla, Alok

    2017-05-01

    We present systematic and comprehensive correlated-electron calculations of the linear photoabsorption spectra of small neutral closed- and open-shell sodium clusters (Nan, n = 2 - 6), as well as closed-shell cation clusters (Nan+, n = 3, 5). We have employed the configuration interaction (CI) methodology at the full CI (FCI) and quadruple CI (QCI) levels to compute the ground, and the low-lying excited states of the clusters. For most clusters, besides the minimum energy structures, we also consider their energetically close isomers. The photoabsorption spectra were computed under the electric-dipole approximation, employing the dipole-matrix elements connecting the ground state with the excited states of each isomer. Our calculations were tested rigorously for convergence with respect to the basis set, as well as with respect to the size of the active orbital space employed in the CI calculations. These calculations reveal that as far as electron-correlation effects are concerned, core excitations play an important role in determining the optimized ground state geometries of various clusters, thereby requiring all-electron correlated calculations. But, when it comes to low-lying optical excitations, only valence electron correlation effects play an important role, and excellent agreement with the experimental results is obtained within the frozen-core approximation. For the case of Na6, the largest cluster studied in this work, we also discuss the possibility of occurrence of plasmonic resonance in the optical absorption spectrum. Supplementary material in the form of one pdf file available from the Journal web page at http://https://doi.org/10.1140/epjd/e2017-70728-3

  5. Accelerating Full Configuration Interaction Calculations for Nuclear Structure

    Energy Technology Data Exchange (ETDEWEB)

    Yang, Chao; Sternberg, Philip; Maris, Pieter; Ng, Esmond; Sosonkina, Masha; Le, Hung Viet; Vary, James; Yang, Chao

    2008-04-14

    One of the emerging computational approaches in nuclear physics is the full configuration interaction (FCI) method for solving the many-body nuclear Hamiltonian in a sufficiently large single-particle basis space to obtain exact answers - either directly or by extrapolation. The lowest eigenvalues and correspondingeigenvectors for very large, sparse and unstructured nuclear Hamiltonian matrices are obtained and used to evaluate additional experimental quantities. These matrices pose a significant challenge to the design and implementation of efficient and scalable algorithms for obtaining solutions on massively parallel computer systems. In this paper, we describe the computational strategies employed in a state-of-the-art FCI code MFDn (Many Fermion Dynamics - nuclear) as well as techniques we recently developed to enhance the computational efficiency of MFDn. We will demonstrate the current capability of MFDn and report the latest performance improvement we have achieved. We will also outline our future research directions.

  6. MOLECULAR OPEN-SHELL CONFIGURATION-INTERACTION CALCULATIONS USING THE DIRAC-COULOMB HAMILTONIAN - THE F6-MANIFOLD OF AN EMBEDDED EUO69- CLUSTER

    NARCIS (Netherlands)

    VISSER, O; VISSCHER, L; AERTS, PJC; NIEUWPOORT, WC

    1992-01-01

    We present results of all-electron molecular relativistic (Hartree-Fock-Dirac) and nonrelativistic (Hartree-Fock) calculations followed by a complete open shell configuration interaction (COSCI) calculation on an EuO6(9-) cluster in a Ba2GdNbO6 crystal. The results include the calculated energies of

  7. Detailed Analysis of Configuration Interaction and Calculation of Radiative Transition Rates in Seven Times Ionized Tungsten (W VIII

    Directory of Open Access Journals (Sweden)

    Jérôme Deprince

    2015-06-01

    Full Text Available A new set of oscillator strengths and transition probabilities for EUV spectral lines of seven times ionized tungsten (W VIII is reported in the present paper. These results have been obtained using the pseudo-relativistic Hartree-Fock (HFR method combined with a semi-empirical optimization of the radial parameters minimizing the discrepancies between computed energy levels and available experimental data. The final physical model considered in the calculations has been chosen further to a detailed investigation of the configuration interaction in this atomic system characterized by complex configurations of the type 4f145s25p5, 4f145s25p4nl, 4f145s5p6, 4f135s25p6, 4f135s25p5nl and 4f125s25p6nl (nl = 5d, 6s.

  8. Multireference X-Ray Emission and Absorption Spectroscopy calculations from Monte Carlo Configuration Interaction

    CERN Document Server

    Coe, J P

    2015-01-01

    We adapt the method of Monte Carlo configuration interaction to calculate core-hole states and use this for the computation of X-ray emission and absorption values. We consider CO, CH$_{4}$, NH$_{3}$, H$_{2}$O, HF, HCN, CH$_{3}$OH, CH$_{3}$F, HCl and NO using a 6-311G** basis. We also look at carbon monoxide with a stretched geometry and discuss the dependence of its results on the cutoff used. The Monte Carlo configuration interaction results are compared with EOM-CCSD values for X-ray emission and with experiment for X-ray absorption. Oscillator strengths are also computed and we quantify the multireference nature of the wavefunctions to suggest when approaches based on a single reference would be expected to be successful.

  9. Accelerating nuclear configuration interaction calculations through a preconditioned block iterative eigensolver

    Science.gov (United States)

    Shao, Meiyue; Aktulga, H. Metin; Yang, Chao; Ng, Esmond G.; Maris, Pieter; Vary, James P.

    2018-01-01

    We describe a number of recently developed techniques for improving the performance of large-scale nuclear configuration interaction calculations on high performance parallel computers. We show the benefit of using a preconditioned block iterative method to replace the Lanczos algorithm that has traditionally been used to perform this type of computation. The rapid convergence of the block iterative method is achieved by a proper choice of starting guesses of the eigenvectors and the construction of an effective preconditioner. These acceleration techniques take advantage of special structure of the nuclear configuration interaction problem which we discuss in detail. The use of a block method also allows us to improve the concurrency of the computation, and take advantage of the memory hierarchy of modern microprocessors to increase the arithmetic intensity of the computation relative to data movement. We also discuss the implementation details that are critical to achieving high performance on massively parallel multi-core supercomputers, and demonstrate that the new block iterative solver is two to three times faster than the Lanczos based algorithm for problems of moderate sizes on a Cray XC30 system.

  10. relline: Relativistic line profiles calculation

    Science.gov (United States)

    Dauser, Thomas

    2015-05-01

    relline calculates relativistic line profiles; it is compatible with the common X-ray data analysis software XSPEC (ascl:9910.005) and ISIS (ascl:1302.002). The two basic forms are an additive line model (RELLINE) and a convolution model to calculate relativistic smearing (RELCONV).

  11. A Large-scale Relativistic Configuration-interaction Approach: Application to the 4s2 - 4s4p Transition Energies and E1 Rates for Zn-like Ions

    Energy Technology Data Exchange (ETDEWEB)

    Chen, M H; Cheng, K T

    2009-08-28

    Relativistic configuration-interaction calculations of the 4s4p excitation energies and 4s{sup 2} - 4s4p E1 transitions for Zn-like ions from Z = 30 to 92 are shown. B-spline basis functions are used for these large-scale calculations. QED corrections to the excitation energies are also calculated. Results are in good agreement with other theories and with experiment, and demonstrate the utility of this method for high-precision atomic structure calculations not just for few-electron systems but also for large atomic systems such as Zn-like ions along the entire isoelectronic sequence.

  12. Highly correlated configuration interaction calculations on water with large orbital bases

    Energy Technology Data Exchange (ETDEWEB)

    Almora-Díaz, César X., E-mail: xalmora@fisica.unam.mx [Instituto de Física, Universidad Nacional Autónoma de México, Apdo. Postal 20-364, México 01000, México (Mexico)

    2014-05-14

    A priori selected configuration interaction (SCI) with truncation energy error [C. F. Bunge, J. Chem. Phys. 125, 014107 (2006)] and CI by parts [C. F. Bunge and R. Carbó-Dorca, J. Chem. Phys. 125, 014108 (2006)] are used to approximate the total nonrelativistic electronic ground state energy of water at fixed experimental geometry with CI up to sextuple excitations. Correlation-consistent polarized core-valence basis sets (cc-pCVnZ) up to sextuple zeta and augmented correlation-consistent polarized core-valence basis sets (aug-cc-pCVnZ) up to quintuple zeta quality are employed. Truncation energy errors range between less than 1 μhartree, and 100 μhartree for the largest orbital set. Coupled cluster CCSD and CCSD(T) calculations are also obtained for comparison. Our best upper bound, −76.4343 hartree, obtained by SCI with up to sextuple excitations with a cc-pCV6Z basis recovers more than 98.8% of the correlation energy of the system, and it is only about 3 kcal/mol above the “experimental” value. Despite that the present energy upper bounds are far below all previous ones, comparatively large dispersion errors in the determination of the extrapolated energies to the complete basis set do not allow to determine a reliable estimation of the full CI energy with an accuracy better than 0.6 mhartree (0.4 kcal/mol)

  13. Non-orthogonal configuration interaction for the calculation of multielectron excited states

    Energy Technology Data Exchange (ETDEWEB)

    Sundstrom, Eric J., E-mail: eric.jon.sundstrom@berkeley.edu; Head-Gordon, Martin [Department of Chemistry, University of California Berkeley, Berkeley, California 94720, USA and Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States)

    2014-03-21

    We apply Non-orthogonal Configuration Interaction (NOCI) to molecular systems where multielectron excitations, in this case double excitations, play a substantial role: the linear polyenes and β-carotene. We demonstrate that NOCI when applied to systems with extended conjugation, provides a qualitatively correct wavefunction at a fraction of the cost of many other multireference treatments. We also present a new extension to this method allowing for purification of higher-order spin states by utilizing Generalized Hartree-Fock Slater determinants and the details for computing 〈S{sup 2}〉 for the ground and excited states.

  14. Optimizing Sparse Matrix-Multiple Vectors Multiplication for Nuclear Configuration Interaction Calculations

    Energy Technology Data Exchange (ETDEWEB)

    Aktulga, Hasan Metin [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Buluc, Aydin [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Williams, Samuel [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Yang, Chao [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)

    2014-08-14

    Obtaining highly accurate predictions on the properties of light atomic nuclei using the configuration interaction (CI) approach requires computing a few extremal Eigen pairs of the many-body nuclear Hamiltonian matrix. In the Many-body Fermion Dynamics for nuclei (MFDn) code, a block Eigen solver is used for this purpose. Due to the large size of the sparse matrices involved, a significant fraction of the time spent on the Eigen value computations is associated with the multiplication of a sparse matrix (and the transpose of that matrix) with multiple vectors (SpMM and SpMM-T). Existing implementations of SpMM and SpMM-T significantly underperform expectations. Thus, in this paper, we present and analyze optimized implementations of SpMM and SpMM-T. We base our implementation on the compressed sparse blocks (CSB) matrix format and target systems with multi-core architectures. We develop a performance model that allows us to understand and estimate the performance characteristics of our SpMM kernel implementations, and demonstrate the efficiency of our implementation on a series of real-world matrices extracted from MFDn. In particular, we obtain 3-4 speedup on the requisite operations over good implementations based on the commonly used compressed sparse row (CSR) matrix format. The improvements in the SpMM kernel suggest we may attain roughly a 40% speed up in the overall execution time of the block Eigen solver used in MFDn.

  15. Relativistic calculations of coalescing binary neutron stars

    Indian Academy of Sciences (India)

    We have designed and tested a new relativistic Lagrangian hydrodynamics code, which treats gravity in the conformally flat approximation to general relativity. We have tested the resulting code extensively, finding that it performs well for calculations of equilibrium single-star models, collapsing relativistic dust clouds, and ...

  16. Relativistic calculations of coalescing binary neutron stars

    Indian Academy of Sciences (India)

    Relativistic calculations of coalescing binary neutron stars. JOSHUA FABER, PHILIPPE GRANDCLÉMENT and FREDERIC RASIO. Department of Physics and Astronomy, Northwestern University, Evanston,. IL 60208-0834, USA. E-mail: rasio@mac.com. Abstract. We have designed and tested a new relativistic Lagrangian ...

  17. Full configuration-interaction and state of the art correlation calculations on water in a valence double-zeta basis with polarization functions

    Science.gov (United States)

    Olsen, Jeppe; Jørgensen, Poul; Koch, Henrik; Balkova, Anna; Bartlett, Rodney J.

    1996-05-01

    Using a valence double-zeta polarization basis, full configuration-interaction (FCI) calculations are carried out on water at its equilibrium geometry and at geometries where the OH bond lengths are stretched until dissociation. At the same geometries and with the same basis set configuration interaction calculations at excitation levels up to hextuples, multireference singles doubles configuration interaction calculations, coupled cluster calculations at excitation levels up to quadruples, Møller-Plesset perturbation theory calculations through order fifteen, and complete active space second-order perturbation theory calculations are also carried out. The static correlation contribution increase with increasing bond length. The calculations show that the coupled cluster approach has a remarkable ability to describe even relatively large static correlation contributions. The single reference perturbation expansion breaks down for larger OH bond length, while the multireference approach preserves the accuracy for the whole potential curve. At the equilibrium geometry, FCI calculations have also been carried out for the lowest state of 2A1, 2B1, and 2B2 symmetry of H2O+, and the results compared with state of the art correlation results for total energies and ionization potentials (IP's). Differential energies (IP's) are obtained more accurately than absolute (total) energies in the size extensive coupled cluster and perturbation approaches. For the nonsize extensive configuration interaction method errors are obtained of the same size for differential and absolute energies.

  18. A Restricted Open Configuration Interaction with Singles Method To Calculate Valence-to-Core Resonant X-ray Emission Spectra: A Case Study

    Science.gov (United States)

    2017-01-01

    In this work, a new protocol for the calculation of valence-to-core resonant X-ray emission (VtC RXES) spectra is introduced. The approach is based on the previously developed restricted open configuration interaction with singles (ROCIS) method and its parametrized version, based on a ground-state Kohn–Sham determinant (DFT/ROCIS) method. The ROCIS approach has the following features: (1) In the first step approximation, many-particle eigenstates are calculated in which the total spin is retained as a good quantum number. (2) The ground state with total spin S and excited states with spin S′ = S, S ± 1, are obtained. (3) These states have a qualitatively correct multiplet structure. (4) Quasi-degenerate perturbation theory is used to treat the spin–orbit coupling operator variationally at the many-particle level. (5) Transition moments are obtained between the relativistic many-particle states. The method has shown great potential in the field of X-ray spectroscopy, in particular in the field of transition-metal L-edge, which cannot be described correctly with particle–hole theories. In this work, the method is extended to the calculation of resonant VtC RXES [alternatively referred to as 1s-VtC resonant inelastic X-ray scattering (RIXS)] spectra. The complete Kramers–Dirac–Heisenerg equation is taken into account. Thus, state interference effects are treated naturally within this protocol. As a first application of this protocol, a computational study on the previously reported VtC RXES plane on a molecular managanese(V) complex is performed. Starting from conventional X-ray absorption spectra (XAS), we present a systematic study that involves calculations and electronic structure analysis of both the XAS and non-resonant and resonant VtC XES spectra. The very good agreement between theory and experiment, observed in all cases, allows us to unravel the complicated intensity mechanism of these spectroscopic techniques as a synergic function of state

  19. Electronic excitation of molecules in solution calculated using the symmetry-adapted cluster–configuration interaction method in the polarizable continuum model

    Energy Technology Data Exchange (ETDEWEB)

    Fukuda, Ryoichi, E-mail: fukuda@ims.ac.jp; Ehara, Masahiro [Institute for Molecular Science and Research Center for Computational Science, 38 Nishigo-naka, Myodaiji, Okazaki, 444-8585 (Japan); Elements Strategy Initiative for Catalysts and Batteries (ESICB), Kyoto University Katsura, Kyoto 615-8520 (Japan)

    2015-12-31

    The effects from solvent environment are specific to the electronic states; therefore, a computational scheme for solvent effects consistent with the electronic states is necessary to discuss electronic excitation of molecules in solution. The PCM (polarizable continuum model) SAC (symmetry-adapted cluster) and SAC-CI (configuration interaction) methods are developed for such purposes. The PCM SAC-CI adopts the state-specific (SS) solvation scheme where solvent effects are self-consistently considered for every ground and excited states. For efficient computations of many excited states, we develop a perturbative approximation for the PCM SAC-CI method, which is called corrected linear response (cLR) scheme. Our test calculations show that the cLR PCM SAC-CI is a very good approximation of the SS PCM SAC-CI method for polar and nonpolar solvents.

  20. Relativistic Few-Body Hadronic Physics Calculations

    Energy Technology Data Exchange (ETDEWEB)

    Polyzou, Wayne [Univ. of Iowa, Iowa City, IA (United States)

    2016-06-20

    The goal of this research proposal was to use ``few-body'' methods to understand the structure and reactions of systems of interacting hadrons (neutrons, protons, mesons, quarks) over a broad range of energy scales. Realistic mathematical models of few-hadron systems have the advantage that they are sufficiently simple that they can be solved with mathematically controlled errors. These systems are also simple enough that it is possible to perform complete accurate experimental measurements on these systems. Comparison between theory and experiment puts strong constraints on the structure of the models. Even though these systems are ``simple'', both the experiments and computations push the limits of technology. The important property of ``few-body'' systems is that the ``cluster property'' implies that the interactions that appear in few-body systems are identical to the interactions that appear in complicated many-body systems. Of particular interest are models that correctly describe physics at distance scales that are sensitive to the internal structure of the individual nucleons. The Heisenberg uncertainty principle implies that in order to be sensitive to physics on distance scales that are a fraction of the proton or neutron radius, a relativistic treatment of quantum mechanics is necessary. The research supported by this grant involved 30 years of effort devoted to studying all aspects of interacting two and three-body systems. Realistic interactions were used to compute bound states of two- and three-nucleon, and two- and three-quark systems. Scattering observables for these systems were computed for a broad range of energies - from zero energy scattering to few GeV scattering, where experimental evidence of sub-nucleon degrees of freedom is beginning to appear. Benchmark calculations were produced, which when compared with calculations of other groups provided an essential check on these complicated calculations. In

  1. Electronic excitation spectra of molecules in solution calculated using the symmetry-adapted cluster-configuration interaction method in the polarizable continuum model with perturbative approach

    Science.gov (United States)

    Fukuda, Ryoichi; Ehara, Masahiro; Cammi, Roberto

    2014-02-01

    A perturbative approximation of the state specific polarizable continuum model (PCM) symmetry-adapted cluster-configuration interaction (SAC-CI) method is proposed for efficient calculations of the electronic excitations and absorption spectra of molecules in solutions. This first-order PCM SAC-CI method considers the solvent effects on the energies of excited states up to the first-order with using the zeroth-order wavefunctions. This method can avoid the costly iterative procedure of the self-consistent reaction field calculations. The first-order PCM SAC-CI calculations well reproduce the results obtained by the iterative method for various types of excitations of molecules in polar and nonpolar solvents. The first-order contribution is significant for the excitation energies. The results obtained by the zeroth-order PCM SAC-CI, which considers the fixed ground-state reaction field for the excited-state calculations, are deviated from the results by the iterative method about 0.1 eV, and the zeroth-order PCM SAC-CI cannot predict even the direction of solvent shifts in n-hexane for many cases. The first-order PCM SAC-CI is applied to studying the solvatochromisms of (2,2'-bipyridine)tetracarbonyltungsten [W(CO)4(bpy), bpy = 2,2'-bipyridine] and bis(pentacarbonyltungsten)pyrazine [(OC)5W(pyz)W(CO)5, pyz = pyrazine]. The SAC-CI calculations reveal the detailed character of the excited states and the mechanisms of solvent shifts. The energies of metal to ligand charge transfer states are significantly sensitive to solvents. The first-order PCM SAC-CI well reproduces the observed absorption spectra of the tungsten carbonyl complexes in several solvents.

  2. Large-scale parallel configuration interaction. I. Nonrelativisticand scalar-relativistic general active space implementationwith application to (Rb-Ba)+

    DEFF Research Database (Denmark)

    Knecht, Stefan; Jensen, Hans Jørgen Aagaard; Fleig, Timo

    2008-01-01

    discuss the parallel speedup with respect to machine-dependent aspects. The largest sample MRCI calculation includes 1.5x109 Slater determinants. Using the new code we determine for the first time the full short-range electronic potentials and spectroscopic constants for the ground state and for eight low......-lying excited states of the weakly bound molecular system (Rb-Ba)+ with the spin-orbit-free Dirac formalism and using extensive uncontracted basis sets. The time required to compute to full convergence these electronic states for (Rb-Ba)+ in a single-point MRCI calculation correlating 18 electrons and using 16...

  3. Chemistry of the 5g elements. Relativistic calculations on hexafluorides

    Energy Technology Data Exchange (ETDEWEB)

    Dognon, Jean-Pierre [NIMBE, CEA, CNRS, Universite Paris-Saclay, CEA Saclay, Gif-sur-Yvette (France); Pyykkoe, Pekka [Department of Chemistry, University of Helsinki (Finland)

    2017-08-14

    A Periodic System was proposed for the elements 1-172 by Pyykkoe on the basis of atomic and ionic calculations. In it, the elements 121-138 were nominally assigned to a 5g row. We now perform molecular, relativistic four-component DFT calculations and find that the hexafluorides of the elements 125-129 indeed enjoy occupied 5g states. (copyright 2017 Wiley-VCH Verlag GmbH and Co. KGaA, Weinheim)

  4. Chemistry of the 5g Elements: Relativistic Calculations on Hexafluorides.

    Science.gov (United States)

    Dognon, Jean-Pierre; Pyykkö, Pekka

    2017-08-14

    A Periodic System was proposed for the elements 1-172 by Pyykkö on the basis of atomic and ionic calculations. In it, the elements 121-138 were nominally assigned to a 5g row. We now perform molecular, relativistic four-component DFT calculations and find that the hexafluorides of the elements 125-129 indeed enjoy occupied 5g states. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  5. Relativistic Band Calculation and the Optical Properties of Gold

    DEFF Research Database (Denmark)

    Christensen, N Egede; Seraphin, B. O.

    1971-01-01

    The energy band structure of gold is calculated by the relativistic augmented-plane-wave (RAPW) method. A nonrelativistic calculation is also presented, and a comparison between this and the RAPW results demonstrates that the shifts and splittings due to relativistic effects are of the same order...... of magnitude as the gaps (approximately 1 eV). Various integrated functions, density of states, joint density of states, and energy distributions of joint density of states are derived from the RAPW calculation. These functions are used in an interpretation of photoemission and static reflectance measurements...... and comparison to the observed temperature shifts of the elements of structure in the experimental ε2 function. Such structure may originate in extended rather than localized regions of k→ space. In contrast, critical-point transitions show up clearly in modulated reflectance spectra, and all elements...

  6. Relativistic extended Thomas-Fermi calculations of finite nuclei

    Energy Technology Data Exchange (ETDEWEB)

    Centelles, M.; Vinas, X.; Barranco, M. (Barcelona Univ. (Spain). Facultat de Fisica); Ohtsuka, N.; Faessler, Amand; Khoa, D.T.; Muether, H. (Tuebingen Univ. (Germany). Inst. fuer Theoretische Physik)

    1991-11-01

    We have used for the first time a relativistic extended Thomas-Fermi method which includes up to (h/2{pi}){sup 2}-corrective terms to study the structure of finite nuclei. The potential part has been obtained from a local density approximation to Dirac-Brueckner calculations carried out with a realistic nucleon-nucleon potential. Some applications to fission barriers and optical potentials for heavy ion scattering are presented. (author).

  7. Relativistic collision rate calculations for electron-air interactions

    Energy Technology Data Exchange (ETDEWEB)

    Graham, G. [EG and G Energy Measurements, Inc., Los Alamos, NM (United States); Roussel-Dupre, R. [Los Alamos National Lab., NM (United States)

    1993-12-01

    The most recent data available on differential cross sections for electron-air interactions are used to calculate the avalanche, momentum transfer, and energy loss rates that enter into the fluid equations. Data for the important elastic, inelastic, and ionizing processes are generally available out to electron energies of 1--10 keV. Prescriptions for extending these cross sections to the relativistic regime are presented. The angular dependence of the cross sections is included where data are available as is the doubly differential cross section for ionizing collisions. The collision rates are computed by taking moments of the Boltzmann collision integrals with the assumption that the electron momentum distribution function is given by the Juettner distribution function which satisfies the relativistic H- theorem and which reduces to the familiar Maxwellian velocity distribution in the nonrelativistic regime. The distribution function is parameterized in terms of the electron density, mean momentum, and thermal energy and the rates are therefore computed on a two dimensional grid as a function of mean kinetic energy and thermal energy.

  8. Monte Carlo configuration interaction applied to multipole moments, ionisation energies and electron affinities

    CERN Document Server

    Coe, J P; Paterson, M J

    2013-01-01

    The method of Monte Carlo configuration interaction (MCCI) [1,2] is applied to the calculation of multipole moments. We look at the ground and excited state dipole moments in carbon monoxide. We then consider the dipole of NO, the quadrupole of the nitrogen molecule and of BH. An octupole of methane is also calculated. We consider experimental geometries and also stretched bonds. We show that these non-variational quantities may be found to relatively good accuracy when compared with FCI results, yet using only a small fraction of the full configuration interaction space. MCCI results in the aug-cc-pVDZ basis are seen to generally have reasonably good agreement with experiment. We also investigate the performance of MCCI when applied to ionisation energies and electron affinities of atoms in an aug-cc-pVQZ basis. We compare the MCCI results with full configuration-interaction quantum Monte Carlo [3,4] and `exact' non-relativistic results [3,4]. We show that MCCI could be a useful alternative for the calculati...

  9. ENERGY DERIVATIVES FOR CONFIGURATION INTERACTION WAVEFUNCTIONS

    Energy Technology Data Exchange (ETDEWEB)

    Dupuis, M.

    1980-09-01

    Equations providing the first and second derivatives of a configuration interaction (CI) energy with respect to an external parameter are provided. We assume no restriction on the form of the CI expansion built from molecular orbitals obtained in a multiconfiguration Hartree-Fock (MCHF) calculation. Also the coupled perturbed multi-configuration Hartree-Fock formalism is presented for a general MCHF wavefunction and provides the first order and second order changes of the molecular orbital expansion coefficients with respect to an external parameter.

  10. Calculated nuclide production yields in relativistic collisions of fissile nuclei

    Energy Technology Data Exchange (ETDEWEB)

    Benlliure, J.; Schmidt, K.-H. [Gesellschaft fuer Schwerionenforschung mbH, Darmstadt (Germany); Grewe, A.; Jong, M. de [Institut fuer Kernphysik, Darmstadt (Germany); Zhdanov, S. [Inst. of Nuclear Physcis, Alma Ata (Kazakstan)

    1998-01-19

    A model calculation is presented which predicts the complex nuclide distribution resulting from peripheral relativistic heavy-ion collisions involving fissile nuclei. The model is based on a modern version of the abrasion-ablation model which describes the formation of excited prefragments due to the nuclear collisions and their consecutive decay. The competition between the evaporation of different light particles and fission is computed with an evaporation code which takes dissipative effects and the emission of intermediate-mass fragments into account. The nuclide distribution resulting from fission processes is treated by a semi-empirical description which includes the excitation-energy dependent influence of nuclear shell effects and pairing correlations. The calculations of collisions between {sup 238}U and different reaction partners reveal that a huge number of isotopes of all elements up to uranium is produced. The complex nuclide distribution shows the characteristics of fragmentation, mass-asymmetric low-energy fission and mass-symmetric high-energy fission. The yields of the different components for different reaction partners are studied. Consequences for technical applications are discussed. (orig.). 78 refs.

  11. Valence ionized states of iron pentacarbonyl and eta5-cyclopentadienyl cobalt dicarbonyl studied by symmetry-adapted cluster-configuration interaction calculation and collision-energy resolved Penning ionization electron spectroscopy.

    Science.gov (United States)

    Fukuda, Ryoichi; Ehara, Masahiro; Nakatsuji, Hiroshi; Kishimoto, Naoki; Ohno, Koichi

    2010-02-28

    Valence ionized states of iron pentacarbonyl Fe(CO)(5) and eta(5)-cyclopentadienyl cobalt dicarbonyl Co(eta(5)-C(5)H(5))(CO)(2) have been studied by ultraviolet photoelectron spectroscopy, two-dimensional Penning ionization electron spectroscopy (2D-PIES), and symmetry-adapted cluster-configuration interaction calculations. Theory provided reliable assignments for the complex ionization spectra of these molecules, which have metal-carbonyl bonds. Theoretical ionization energies agreed well with experimental observations and the calculated wave functions could explain the relative intensities of PIES spectra. The collision-energy dependence of partial ionization cross sections (CEDPICS) was obtained by 2D-PIES. To interpret these CEDPICS, the interaction potentials between the molecules and a Li atom were examined in several coordinates by calculations. The relation between the slope of the CEDPICS and the electronic structure of the ionized states, such as molecular symmetry and the spatial distribution of ionizing orbitals, was analyzed. In Fe(CO)(5), an attractive interaction was obtained for the equatorial CO, while the interaction for the axial CO direction was repulsive. For Co(eta(5)-C(5)H(5))(CO)(2), the interaction potential in the direction of both Co-C-O and Co-Cp ring was attractive. These anisotropic interactions and ionizing orbital distributions consistently explain the relative slopes of the CEDPICS.

  12. Electronic states and nature of bonding of the molecule NiGe by all electron ab initio Hartree–Fock (HF) and configuration interaction (CI) calculations and mass spectrometric equilibrium experiments

    DEFF Research Database (Denmark)

    Shim, Irene; Kingcade, Joseph E.; Gingerich, Karl A.

    1988-01-01

    All electron ab initio Hartree–Fock (HF) and configuration interaction (CI) calculations have been applied to investigate the low-lying electronic states of the NiGe molecule. The ground state of the NiGe molecule is predicted to be 1Sigma+. The chemical bond in the 1Sigma+ ground state is a double...... bond composed of one sigma and one pi bond. The sigma bond is due to a delocalized molecular orbital formed by combining the Ni 4s and the Ge 4psigma orbitals. The pi bond is a partly delocalized valence bond, originating from the coupling of the 3dpi hole on Ni with the 4ppi electron on Ge. The low...... =286.8±10.9 kJ mol−1. The standard heat of formation of the NiGe molecule has been obtained as DeltaH [open circle] f,298 =514±12 kJ mol−1. The Journal of Chemical Physics is copyrighted by The American Institute of Physics....

  13. RIS3: A program for relativistic isotope shift calculations

    Science.gov (United States)

    Nazé, C.; Gaidamauskas, E.; Gaigalas, G.; Godefroid, M.; Jönsson, P.

    2013-09-01

    An atomic spectral line is characteristic of the element producing the spectrum. The line also depends on the isotope. The program RIS3 (Relativistic Isotope Shift) calculates the electron density at the origin and the normal and specific mass shift parameters. Combining these electronic quantities with available nuclear data, isotope-dependent energy level shifts are determined. Program summaryProgram title:RIS3 Catalogue identifier: ADEK_v2_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/ADEK_v2_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 5147 No. of bytes in distributed program, including test data, etc.: 32869 Distribution format: tar.gz Programming language: Fortran 77. Computer: HP ProLiant BL465c G7 CTO. Operating system: Centos 5.5, which is a Linux distribution compatible with Red Hat Enterprise Advanced Server. Classification: 2.1. Catalogue identifier of previous version: ADEK_v1_0 Journal reference of previous version: Comput. Phys. Comm. 100 (1997) 81 Subprograms used: Cat Id Title Reference ADZL_v1_1 GRASP2K VERSION 1_1 to be published. Does the new version supersede the previous version?: Yes Nature of problem: Prediction of level and transition isotope shifts in atoms using four-component relativistic wave functions. Solution method: The nuclear motion and volume effects are treated in first order perturbation theory. Taking the zero-order wave function in terms of a configuration state expansion |Ψ>=∑μcμ|Φ(γμPJMj)>, where P, J and MJ are, respectively, the parity and angular quantum numbers, the electron density at the nucleus and the normal and specific mass shift parameters may generally be expressed as ∑cμcν where V is the relevant operator. The matrix elements, in turn, can be expressed as sums over radial integrals multiplied

  14. Quantum defect theory for Coulomb and other potentials in the framework of configuration interaction and implementation to the calculation of {sup 2} D and {sup 2} F {sup o} perturbed spectra of Al

    Energy Technology Data Exchange (ETDEWEB)

    Komninos, Yannis [Theoretical and Physical Chemistry Institute, National Hellenic Research Foundation, 48 Vasileos Constantinou Avenue, Athens 11635 (Greece); Nicolaides, Cleanthes A [Theoretical and Physical Chemistry Institute, National Hellenic Research Foundation, 48 Vasileos Constantinou Avenue, Athens 11635 (Greece)

    2004-05-14

    In continuation of our earlier work on the ab initio calculation of perturbed spectra and on a corresponding quantum defect theory (QDT), we discuss certain essential characteristics having to do with the unification of the continuous and the discrete spectra via the formal and practical construction of smooth quantities without invoking the pair of analytic forms of regular and irregular functions. The theory and its computational methodology are in the framework of configuration interaction (CI), and its structure shows how wavefunctions and properties of excited states of atoms and molecules can be computed provided one uses reliable zero-order basis functions, regardless of whether the relevant potential is, asymptotically, Coulombic or some other type. The mathematical connection with smooth reaction matrices in the discrete spectrum is demonstrated via the Mittag-Leffler theorem for the construction of analytic functions. We compare results for the quantum defects and fine structure from the present theory, as implemented by Komninos et al ( 1995 J. Phys. B: At. Mol. Opt. Phys. 28 2049 , 1996 J. Phys. B: At. Mol. Opt. Phys. 29 L193 ), of the Al spectra of {sup 2} D symmetry (strongly perturbed) and of {sup 2} F {sup o} symmetry (weakly perturbed), with the recently reported measurements on high-lying states ( Dyubko et al 2003 J. Phys. B: At. Mol. Opt. Phys. 36 3797 and 4827 ), as well as with those of Eriksson and Isberg (1963 Ark. Fys. 23 527) for the low-lying states. The comparison reveals for the first time very good agreement between theory and experiment for both series. In addition, predictions for the other states of the series are made. Previous computations of the quantum defects of the {sup 2} D spectrum, in general, do not agree among themselves while they deviate from the experimental values.

  15. Gauge origin independent calculations of molecular magnetisabilities in relativistic four-component theory

    DEFF Research Database (Denmark)

    Iliaš, M.; Jensen, Hans Jørgen Aagaard; Bast, R.

    2013-01-01

    The use of magnetic-field dependent London atomic orbitals, also called gauge including atomic orbitals, is known to be an efficient choice for accurate non-relativistic calculations of magnetisabilities. In this work, the appropriate formulas were extended and implemented in the framework...... of the four-component relativistic linear response method at the self-consistent field single reference level. Benefits of employing the London atomic orbitals in relativistic calculations are illustrated with Hartree-Fock wave functions on the XF3 (X = N, P, As, Sb, Bi) series of molecules. Significantly...... better convergence of magnetisabilities with respect to the basis set size is observed compared to calculations employing a common gauge origin. In fact, it is mandatory to use London atomic orbitals unless you want to use ridiculously large basis sets. Relativistic effects on magnetisabilities are found...

  16. GRASP92: a package for large-scale relativistic atomic structure calculations

    Science.gov (United States)

    Parpia, F. A.; Froese Fischer, C.; Grant, I. P.

    2006-12-01

    of CSFs sharing the same quantum numbers is determined using the configuration-interaction (CI) procedure that results upon varying the expansion coefficients to determine the extremum of a variational functional. Radial functions may be determined by numerically solving the multiconfiguration Dirac-Fock (MCDF) equations that result upon varying the orbital radial functions or some subset thereof so as to obtain an extremum of the variational functional. Radial wavefunctions may also be determined using a screened hydrogenic or Thomas-Fermi model, although these schemes generally provide initial estimates for MCDF self-consistent-field (SCF) calculations. Transition properties for pairs of ASFs are computed from matrix elements of multipole operators of the electromagnetic field. All matrix elements of CSFs are evaluated using the Racah algebra. Reasons for the new version: During recent studies using the general relativistic atomic structure package (GRASP92), several errors were found, some of which might have been present already in the earlier GRASP92 version (program ABJN_v1_0, Comput. Phys. Comm. 55 (1989) 425). These errors were reported and discussed by Froese Fischer, Gaigalas, and Ralchenko in a separate publication [C. Froese Fischer, G. Gaigalas, Y. Ralchenko, Comput. Phys. Comm. 175 (2006) 738-744. [7

  17. Calculations of nuclear magnetic shielding constants based on the exact two-component relativistic method

    Science.gov (United States)

    Yoshizawa, Terutaka; Hada, Masahiko

    2017-10-01

    From the matrix representation of the modified Dirac equation based on the restricted magnetically balanced gauge-including atomic orbital (RMB-GIAO) basis, previously one of the authors (Yoshizawa) and co-workers derived the two-component normalized elimination of the small component (2c-NESC) formulas for 2c relativistic calculations of nuclear magnetic resonance (NMR) shielding tensors. In the present study, at the Hartree-Fock (HF) level, we numerically confirm that for several molecules the RMB-GIAO-based 2c-NESC method provides gauge-origin independent NMR shielding values. Moreover, we investigate the accuracy of the 2c-NESC method by comparison with the 4c relativistic NMR calculations at the HF level. For noble gas dimers and Hg compounds, it is shown that the 2c-NESC method reproduces the 4c relativistic NMR shielding constants within errors of 0.12%-0.31% of the 4c relativistic values and yields chemical shifts sufficiently close to the 4c relativistic results. Also, we discuss the basis set convergence of NMR shielding constants calculated with the 2c-NESC and 4c relativistic methods.

  18. A multireference configuration interaction study of CuB and CuAl molecular constants and photoionization spectra.

    Science.gov (United States)

    Ferrão, Luiz F A; Spada, Rene F K; Roberto-Neto, Orlando; Machado, Francisco B C

    2013-09-28

    Accurate potential energy curves and molecular constants for the low-lying electronic states of CuX(y) (X = B, Al; y = 0, +1) were investigated using the complete active space self-consistent field/multireference configuration interaction (MRCI) methodology with aug-cc-pV5Z basis set. The photoionization spectra of CuX were computed, showing electron detachment in the region of far ultraviolet. The results complement the previous theoretical characterizations and the few experimental studies. A comparative analysis was carried out concerning the different choices of reference configuration state functions in the MRCI calculations with and without the contribution of scalar relativistic effects. The results obtained with a small reference set adequately constructed are competitive to those using a much larger number of configuration state functions, and also the scalar relativistic effects improve significantly the molecular constants in this kind of system containing a 3d metal atom.

  19. Scaling calculation of isoscalar giant resonances in relativistic Thomas-Fermi theory

    Energy Technology Data Exchange (ETDEWEB)

    Patra, S.K.; Vinas, X.; Centelles, M. E-mail: mario@ecm.ub.es; Del Estal, M

    2002-05-20

    We derive analytical expressions for the excitation energy of the isoscalar giant monopole and quadrupole resonances in finite nuclei, by using the scaling method and the extended Thomas-Fermi approach to relativistic mean-field theory. We study the ability of several nonlinear {sigma}-{omega} parameter sets of common use in reproducing the experimental data. For monopole oscillations the calculations agree better with experiment when the nuclear matter incompressibility of the relativistic interaction lies in the range 220-260 MeV. The breathing-mode energies of the scaling method compare satisfactorily with those obtained in relativistic RPA and time-dependent mean-field calculations. For quadrupole oscillations, all the analyzed nonlinear parameter sets reproduce the empirical trends reasonably well.

  20. Calculation of fusion gain in fast ignition with magnetic target by relativistic electrons and protons

    Directory of Open Access Journals (Sweden)

    A Parvazian

    2010-12-01

    Full Text Available Fast ignition is a new method for inertial confinement fusion (ICF in which the compression and ignition steps are separated. In the first stage, fuel is compressed by laser or ion beams. In the second phase, relativistic electrons are generated by pettawat laser in the fuel. Also, in the second phase 5-35 MeV protons can be generated in the fuel. Electrons or protons can penetrate in to the ultra-dense fuel and deposit their energy in the fuel . More recently, cylindrical rather than spherical fuel chambers with magnetic control in the plasma domain have been also considered. This is called magnetized target fusion (MTF. Magnetic field has effects on relativistic electrons energy deposition rate in fuel. In this work, fast ignition method in cylindrical fuel chambers is investigated and transportation of the relativistic electrons and protons is calculated using MCNPX and FLUKA codes with 0. 25 and 0. 5 tesla magnetic field in single and dual hot spot. Furthermore, the transfer rate of relativistic electrons and high energy protons to the fuel and fusion gain are calculated. The results show that the presence of external magnetic field guarantees higher fusion gain, and relativistic electrons are much more appropriate objects for ignition. MTF in dual hot spot can be considered as an appropriate substitution for the current ICF techniques.

  1. Nuclear monopole charge form factor calculation for relativistic models including center-of-mass corrections

    Energy Technology Data Exchange (ETDEWEB)

    Avancini, S.S.; Marinelli, J.R. [Universidade Federal de Santa Catarina Florianopolis, Depto de Fisica - CFM, Florianopolis (Brazil); Carlson, B.V. [Instituto Tecnologico de Aeronautica, Sao Jose dos Campos (Brazil)

    2013-06-15

    Relativistic models for finite nuclei contain spurious center-of-mass motion in most applications for the nuclear many-body problem, where the nuclear wave function is taken as a single Slater determinant within a space-fixed frame description. We use the Peierls-Yoccoz projection method, previously developed for relativistic approaches together with a reparametrization of the coupling constants that fits binding energies and charge radius and apply our results to calculate elastic electron scattering monopole charge form factors for light nuclei. (orig.)

  2. Gauge origin independent calculations of nuclear magnetic shieldings in relativistic four-component theory

    DEFF Research Database (Denmark)

    Ilias, Miroslav; Saue, Trond; Enevoldsen, Thomas

    2009-01-01

    The use of perturbation-dependent London atomic orbitals, also called gauge including atomic orbitals, has proven efficient for calculations of NMR shielding constants and other magnetic properties in the nonrelativistic framework. In this paper, the theory of London atomic orbitals for NMR...... shieldings is extended to the four-component relativistic framework and our implementation is described. The relevance of London atomic orbitals in four-component calculations as well as computational aspects are illustrated with test calculations on hydrogen iodide. We find that the use of London atomic...... fulfill the magnetic balance for accurate description of the diamagnetic shielding and that the role of London atomic orbitals in the relativistic domain is to provide atomic magnetic balance even in the molecular case, thus greatly improving basis set convergence. The Sternheim approximation, which...

  3. Relativistic CI calculations of spectroscopic data for the 2p{sup 6} and 2p{sup 5}3l configurations in Ne-like ions between Mg III and Kr XXVII

    Energy Technology Data Exchange (ETDEWEB)

    Jönsson, P., E-mail: per.jonsson@mah.se [School of Technology, Malmö University, 20506 Malmö (Sweden); Bengtsson, P.; Ekman, J.; Gustafsson, S.; Karlsson, L.B. [School of Technology, Malmö University, 20506 Malmö (Sweden); Gaigalas, G. [Department of Physics, Vilnius Pedagogical University, Studentu 39, LT-08106 Vilnius (Lithuania); Vilnius University, Institute of Theoretical Physics and Astronomy, A. Goštauto 12, LT-01108 Vilnius (Lithuania); Froese Fischer, C. [National Institute of Standards and Technology Gaithersburg, MD 20899-8420 (United States); Kato, D.; Murakami, I.; Sakaue, H.A. [National Institute for Fusion Science, 322-6 Oroshi-cho, Toki 509-5292 (Japan); Hara, H.; Watanabe, T. [National Astronomical Observatory of Japan, Mitaka, Tokyo 181-8588 (Japan); Nakamura, N. [The University of Electro-Communications, Chofu, Tokyo 182-8585 (Japan); Yamamoto, N. [Chubu University, Kasugai, Aichi 487-8501 (Japan)

    2014-01-15

    Energies, E1, M1, E2, M2 transition rates, oscillator strengths, and lifetimes from relativistic configuration interaction calculations are reported for the states of the 2p{sup 6}, 2p{sup 5}3s, 2p{sup 5}3p, and 2p{sup 5}3d, configurations in all Ne-like ions between Mg III and Kr XXVII. Core–valence and core–core correlation effects are accounted for through single and double excitations to increasing sets of active orbitals. The Breit interaction and leading quantum electrodynamic effects are included as perturbations. The results are compared with experiments and other recent benchmark calculations. In Mg III, Al IV, Si V, P VI, S VII, and Ar IX, for which experimental energies are known to high accuracy, the mean error in the calculated energies is only 0.011%.

  4. Orbit-orbit relativistic correction calculated with all-electron molecular explicitly correlated Gaussians

    Science.gov (United States)

    Stanke, Monika; Palikot, Ewa; KÈ©dziera, Dariusz; Adamowicz, Ludwik

    2016-12-01

    An algorithm for calculating the first-order electronic orbit-orbit magnetic interaction correction for an electronic wave function expanded in terms of all-electron explicitly correlated molecular Gaussian (ECG) functions with shifted centers is derived and implemented. The algorithm is tested in calculations concerning the H2 molecule. It is also applied in calculations for LiH and H3+ molecular systems. The implementation completes our work on the leading relativistic correction for ECGs and paves the way for very accurate ECG calculations of ground and excited potential energy surfaces (PESs) of small molecules with two and more nuclei and two and more electrons, such as HeH-, H3+, HeH2, and LiH2+. The PESs will be used to determine rovibrational spectra of the systems.

  5. Relativistic calculations of screening parameters and atomic radii of neutral atoms

    Science.gov (United States)

    Guerra, M.; Amaro, P.; Santos, J. P.; Indelicato, P.

    2017-09-01

    Calculations of the effective nuclear charge for elements with 1 ≤ Z ≤ 118 have been performed in a Dirac-Fock approach including all relativistic effects as well as contributions from quantum electrodynamics. Maximum charge density for every subshell of every element in the periodic table was also computed in the same framework as well as atomic radii based on the total charge density. Results were compared with the extensively cited works of Clementi et al., obtained in the 1960s with Roothan's self-consistent-field method.

  6. Relativistic calculations of double $K$-shell photoionization for neutral medium-$Z$ atoms

    CERN Document Server

    Yerokhin, V A; Fritzsche, S

    2014-01-01

    Fully relativistic calculations are presented for the double $K$-shell photoionization cross section for several neutral medium-$Z$ atoms, from magnesium ($Z = 10$) up to silver ($Z = 47$). The calculations take into account all multipoles of the absorbed photon as well as the retardation of the electron-electron interaction. The approach is based on the partial-wave representation of the Dirac continuum states and uses the Green-function technique to represent the full Dirac spectrum of intermediate states. The method is strictly gauge invariant, which is used as an independent cross check of the computational procedure. The calculated ratios of the double-to-single $K$-shell ionization cross sections are compared with the experimental data and with previous computations.

  7. Non-Born-Oppenheimer calculations of the pure vibrational spectrum of T2 including relativistic corrections

    Science.gov (United States)

    Stanke, Monika; Adamowicz, Ludwik

    2014-10-01

    We report very accurate calculations of the complete pure vibrational spectrum of the T2 molecule with an approach where the Born-Oppenheimer (BO) approximation is not assumed. As the considered states correspond to the zero total angular momentum, their non-BO wave functions are spherically symmetric and are expanded in terms of all-particle, one-center, spherically symmetric explicitly correlated Gaussian functions multiplied by even nonnegative powers of the internuclear distance. The nonrelativistic energies of the states obtained in the non-BO calculations are corrected for the relativistic effects of the order of α2 (where α is the fine structure constant) calculated as expectation values of the operators representing these effects.

  8. Non-Born-Oppenheimer calculations of the pure vibrational spectrum of T₂ including relativistic corrections.

    Science.gov (United States)

    Stanke, Monika; Adamowicz, Ludwik

    2014-10-21

    We report very accurate calculations of the complete pure vibrational spectrum of the T2 molecule with an approach where the Born-Oppenheimer (BO) approximation is not assumed. As the considered states correspond to the zero total angular momentum, their non-BO wave functions are spherically symmetric and are expanded in terms of all-particle, one-center, spherically symmetric explicitly correlated Gaussian functions multiplied by even nonnegative powers of the internuclear distance. The nonrelativistic energies of the states obtained in the non-BO calculations are corrected for the relativistic effects of the order of α(2) (where α is the fine structure constant) calculated as expectation values of the operators representing these effects.

  9. Relativistic extended Thomas-Fermi calculations of finite nuclei with realistic nucleon-nucleon interactions

    Energy Technology Data Exchange (ETDEWEB)

    Centelles, M.; Vinas, X.; Barranco, M. (Departament d' Estructura i Constituents de la Materia, Facultat de Fisica, Universitat de Barcelona, Diagonal 647, E-08028 Barcelona (Spain)); Ohtsuka, N.; Faessler, A.; Khoa, D.T.; Muether, H. (Institut fuer Theoretische Physik, Universitaet Tuebingen, Auf der Morgenstelle 14, D-7400 Tuebingen (Germany))

    1993-03-01

    A relativistic energy density functional is constructed to investigate the Dirac effects on different properties of the structure and scattering of finite nuclei. The kinetic energy density has been derived within a relativistic extended Thomas-Fermi model and includes gradient corrections to second order in [h bar]. The effective mass and the volume term of the potential energy density have been obtained from a local density approximation to Dirac-Brueckner calculations of nuclear matter carried out with a realistic nucleon-nucleon interaction. This volume term is supplemented by the Coulomb energy and by conventional phenomenological surface and symmetry terms, and the few free parameters of the functional are suitably adjusted. Attention is then focused on the calculation of fission barriers of rotating nuclei and of the complex optical potential for heavy ion collisions at intermediate energies. It turns out that the effects of the density-dependent Dirac spinor which have been incorporated in this approach allow for a reasonable description of the investigated properties.

  10. Using full configuration interaction quantum Monte Carlo in a seniority zero space to investigate the correlation energy equivalence of pair coupled cluster doubles and doubly occupied configuration interaction

    CERN Document Server

    Shepherd, James J; Scuseria, Gustavo E

    2016-01-01

    Over the past few years pair coupled cluster doubles (pCCD) has shown promise for the description of strong correlation. This promise is related to its apparent ability to match results from doubly occupied configuration interaction (DOCI), even though the latter method has exponential computational cost. Here, by modifying the full configuration interaction quantum Monte Carlo (FCIQMC) algorithm to sample only the seniority zero sector of Hilbert space, we show that the DOCI and pCCD energies are in agreement for a variety of 2D Hubbard models, including for systems well out of reach for conventional configuration interaction algorithms. Our calculations are aided by the sign problem being much reduced in the seniority zero space compared with the full space. We present evidence for this, and then discuss the sign problem in terms of the wave function of the system which appears to have a simplified sign structure.

  11. A fully relativistic approach for calculating atomic data for highly charged ions

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Hong Lin [Los Alamos National Laboratory; Fontes, Christopher J [Los Alamos National Laboratory; Sampson, Douglas H [PENNSYLVANIA STATE UNIV

    2009-01-01

    We present a review of our fully relativistic approach to calculating atomic data for highly charged ions, highlighting a research effort that spans twenty years. Detailed discussions of both theoretical and numerical techniques are provided. Our basic approach is expected to provide accurate results for ions that range from approximately half ionized to fully stripped. Options for improving the accuracy and range of validity of this approach are also discussed. In developing numerical methods for calculating data within this framework, considerable emphasis is placed on techniques that are robust and efficient. A variety of fundamental processes are considered including: photoexcitation, electron-impact excitation, electron-impact ionization, autoionization, electron capture, photoionization and photorecombination. Resonance contributions to a variety of these processes are also considered, including discussions of autoionization, electron capture and dielectronic recombination. Ample numerical examples are provided in order to illustrate the approach and to demonstrate its usefulness in providing data for large-scale plasma modeling.

  12. Excited states using semistochastic heat-bath configuration interaction

    Science.gov (United States)

    Holmes, Adam A.; Umrigar, C. J.; Sharma, Sandeep

    2017-10-01

    We extend our recently developed heat-bath configuration interaction (HCI) algorithm, and our semistochastic algorithm for performing multireference perturbation theory, to calculate excited-state wavefunctions and energies. We employ time-reversal symmetry, which reduces the memory requirements by more than a factor of two. An extrapolation technique is introduced to reliably extrapolate HCI energies to the full CI limit. The resulting algorithm is used to compute fourteen low-lying potential energy surfaces of the carbon dimer using the cc-pV5Z basis set, with an estimated error in energy of 30-50 μHa compared to full CI. The excitation energies obtained using our algorithm have a mean absolute deviation of 0.02 eV compared to experimental values.

  13. Relativistic calculations of quasi-one-electron atoms and ions using Laguerre and Slater spinors

    CERN Document Server

    Jiang, Jun; Cheng, Yongjun; Bromley, Michael W J

    2016-01-01

    A relativistic description of the structure of heavy alkali atoms and alkali-like ions using S-spinors and L-spinors has been developed. The core wavefunction is defined by a Dirac-Fock calculation using an S-spinors basis. The S-spinor basis is then supplemented by a large set of L-spinors for the calculation of the valence wavefunction in a frozen-core model. The numerical stability of the L-spinor approach is demonstrated by computing the energies and decay rates of several low-lying hydrogen eigenstates, along with the polarizabilities of a $Z=60$ hydrogenic ion. The approach is then applied to calculate the dynamic polarizabilities of the $5s$, $4d$ and $5p$ states of Sr$^+$. The magic wavelengths at which the Stark shifts between different pairs of transitions are zero are computed. Determination of the magic wavelengths for the $5s \\to 4d_{\\frac32}$ and $5s \\to 4d_{\\frac52}$ transitions near $417$~nm (near the wavelength for the $5s \\to 5p_j$ transitions) would allow a determination of the oscillator s...

  14. Relativistic R -matrix calculations for the electron-impact excitation of neutral molybdenum

    Science.gov (United States)

    Smyth, R. T.; Johnson, C. A.; Ennis, D. A.; Loch, S. D.; Ramsbottom, C. A.; Ballance, C. P.

    2017-10-01

    A recent PISCES-B Mod experiment [Nishijima et al., J. Phys. B 43, 225701 (2010), 10.1088/0953-4075/43/22/225701] has revealed up to a factor of 5 discrepancy between measurement and the two existing theoretical models [Badnell et al., J. Phys. B 29, 3683 (1996), 10.1088/0953-4075/29/16/014; Bartschat et al., J. Phys. B 35, 2899 (2002), 10.1088/0953-4075/35/13/305], providing important diagnostics for Mo i. In the following paper we address this issue by employing a relativistic atomic structure and R -matrix scattering calculations to improve upon the available models for future applications and benchmark results against a recent Compact Toroidal Hybrid experiment [Hartwell et al., Fusion Sci. Technol. 72, 76 (2017), 10.1080/15361055.2017.1291046]. We determine the atomic structure of Mo i using grasp0, which implements the multiconfigurational Dirac-Fock method. Fine structure energies and radiative transition rates are presented and compared to existing experimental and theoretical values. The electron-impact excitation of Mo i is investigated using the relativistic R -matrix method and the parallel versions of the Dirac atomic R -matrix codes. Electron-impact excitation cross sections are presented and compared to the few available theoretical cross sections. Throughout, our emphasis is on improving the results for the z 1,2,3o5P →a S52,z 2,3,4o7P → a S73 and y 2,3,4o7P → a S73 electric dipole transitions of particular relevance for diagnostic work.

  15. A direct relativistic approach to ligand field theory calculations of spin-orbit components of diatomic molecules

    Science.gov (United States)

    Bencheikh, M.; Schamps, J.

    1997-11-01

    The basic equations of a direct relativistic approach to ligand field theory are derived for the calculation of spin-orbit splittings of diatomic molecules. The decisive advantage of this direct method over the standard perturbational procedure, especially in case of strong spin-orbit effect, are pointed out and discussed.

  16. On the calculation of second-order magnetic properties using subsystem approaches in a relativistic framework.

    Science.gov (United States)

    Olejniczak, Małgorzata; Bast, Radovan; Pereira Gomes, André Severo

    2017-03-22

    We report an implementation of nuclear magnetic resonance (NMR) shielding (σ), isotope-independent indirect spin-spin coupling (K) and the magnetizability (ξ) tensors in a frozen density embedding scheme using the four-component (4c) relativistic Dirac-Coulomb (DC) Hamiltonian and non-collinear spin density functional theory. The formalism takes into account the magnetic balance between the large and the small components of molecular spinors and assures the gauge-origin independence of the NMR shielding and magnetizability results. This implementation has been applied to hydrogen-bonded HXHOH2 complexes (X = Se, Te, Po) and compared with supermolecular calculations and with an approach based on the integration of the magnetically induced current density vector. A comparison with the approximate zeroth-order regular approximation (ZORA) Hamiltonian indicates non-negligible differences in σ and K in the HPoHOH2 complex, and calls for a thorough comparison of ZORA and DC Hamiltonians in the description of environment effects on NMR parameters for molecular systems with heavy elements.

  17. Calculation of the spectrum of the superheavy element Z=120

    OpenAIRE

    Dinh, T. H.; Dzuba, V. A.; Flambaum, V. V.; Ginges, J. S. M.

    2008-01-01

    High-precision calculations of the energy levels of the superheavy element Z=120 are presented. The relativistic Hartree-Fock and configuration interaction techniques are employed. The correlations between core and valence electrons are treated by means of the correlation potential method and many-body perturbation theory. Similar calculations for barium and radium are used to gauge the accuracy of the calculations and to improve the ab initio results.

  18. The electronic structure of the triiodide ion from relativistic correlated calculations: a comparison of different methodologies.

    Science.gov (United States)

    Gomes, André Severo Pereira; Visscher, Lucas; Bolvin, Hélène; Saue, Trond; Knecht, Stefan; Fleig, Timo; Eliav, Ephraim

    2010-08-14

    The triiodide ion I(3)(-) exhibits a complex photodissociation behavior, the dynamics of which are not yet fully understood. As a first step toward determining the full potential energy surfaces of this species for subsequent simulations of its dissociation processes, we investigate the performance of different electronic structure methods [time-dependent density functional theory, complete active space perturbation theory to second order (CASPT2), Fock-space coupled cluster and multireference configuration interaction] in describing the ground and excited states of the triiodide ion along the symmetrical dissociation path. All methods apart from CASPT2 include scalar relativity and spin-orbit coupling in the orbital optimization, providing useful benchmark data for the more common two-step approaches in which spin-orbit coupling is introduced in the configuration interaction. Time-dependent density functional theory with the statistical averaging of model orbital potential functional is off the mark for this system. Another choice of functional may improve performance with respect to vertical excitation energies and spectroscopic constants, but all functionals are likely to face instability problems away from the equilibrium region. The Fock-space coupled cluster method was shown to perform clearly best in regions not too far from equilibrium but is plagued by convergence problems toward the dissociation limit due to intruder states. CASPT2 shows good performance at significantly lower computational cost, but is quite sensitive to symmetry breaking. We furthermore observe spikes in the CASPT2 potential curves away from equilibrium, signaling intruder state problems that we were unable to curb through the use of level shifts. Multireference configuration interaction is, in principle, a viable option, but its computational cost in the present case prohibits use other than for benchmarking purposes.

  19. The electronic structure of the triiodide ion from relativistic correlated calculations: A comparison of different methodologies

    Science.gov (United States)

    Gomes, André Severo Pereira; Visscher, Lucas; Bolvin, Hélène; Saue, Trond; Knecht, Stefan; Fleig, Timo; Eliav, Ephraim

    2010-08-01

    The triiodide ion I3- exhibits a complex photodissociation behavior, the dynamics of which are not yet fully understood. As a first step toward determining the full potential energy surfaces of this species for subsequent simulations of its dissociation processes, we investigate the performance of different electronic structure methods [time-dependent density functional theory, complete active space perturbation theory to second order (CASPT2), Fock-space coupled cluster and multireference configuration interaction] in describing the ground and excited states of the triiodide ion along the symmetrical dissociation path. All methods apart from CASPT2 include scalar relativity and spin-orbit coupling in the orbital optimization, providing useful benchmark data for the more common two-step approaches in which spin-orbit coupling is introduced in the configuration interaction. Time-dependent density functional theory with the statistical averaging of model orbital potential functional is off the mark for this system. Another choice of functional may improve performance with respect to vertical excitation energies and spectroscopic constants, but all functionals are likely to face instability problems away from the equilibrium region. The Fock-space coupled cluster method was shown to perform clearly best in regions not too far from equilibrium but is plagued by convergence problems toward the dissociation limit due to intruder states. CASPT2 shows good performance at significantly lower computational cost, but is quite sensitive to symmetry breaking. We furthermore observe spikes in the CASPT2 potential curves away from equilibrium, signaling intruder state problems that we were unable to curb through the use of level shifts. Multireference configuration interaction is, in principle, a viable option, but its computational cost in the present case prohibits use other than for benchmarking purposes.

  20. Algorithms for calculating mass-velocity and Darwin relativistic corrections with n-electron explicitly correlated Gaussians with shifted centers

    Science.gov (United States)

    Stanke, Monika; Palikot, Ewa; Adamowicz, Ludwik

    2016-05-01

    Algorithms for calculating the leading mass-velocity (MV) and Darwin (D) relativistic corrections are derived for electronic wave functions expanded in terms of n-electron explicitly correlated Gaussian functions with shifted centers and without pre-exponential angular factors. The algorithms are implemented and tested in calculations of MV and D corrections for several points on the ground-state potential energy curves of the H2 and LiH molecules. The algorithms are general and can be applied in calculations of systems with an arbitrary number of electrons.

  1. Algorithms for calculating mass-velocity and Darwin relativistic corrections with n-electron explicitly correlated Gaussians with shifted centers

    Energy Technology Data Exchange (ETDEWEB)

    Stanke, Monika, E-mail: monika@fizyka.umk.pl; Palikot, Ewa, E-mail: epalikot@doktorant.umk.pl [Institute of Physics, Faculty of Physics, Astronomy, and Informatics, Nicolaus Copernicus University, ul. Grudzia̧dzka 5, Toruń, PL 87-100 (Poland); Adamowicz, Ludwik, E-mail: ludwik@email.arizona.edu [Department of Chemistry and Biochemistry and Department of Physics, University of Arizona, Tucson, Arizona 85721 (United States)

    2016-05-07

    Algorithms for calculating the leading mass-velocity (MV) and Darwin (D) relativistic corrections are derived for electronic wave functions expanded in terms of n-electron explicitly correlated Gaussian functions with shifted centers and without pre-exponential angular factors. The algorithms are implemented and tested in calculations of MV and D corrections for several points on the ground-state potential energy curves of the H{sub 2} and LiH molecules. The algorithms are general and can be applied in calculations of systems with an arbitrary number of electrons.

  2. Effect of Oblique Electromagnetic Ion Cyclotron Waves on Relativistic Electron Scattering: CRRES Based Calculation

    Science.gov (United States)

    Gamayunov, K. V.; Khazanov, G. V.

    2007-01-01

    We consider the effect of oblique EMIC waves on relativistic electron scattering in the outer radiation belt using simultaneous observations of plasma and wave parameters from CRRES. The main findings can be s ummarized as follows: 1. In 1comparison with field-aligned waves, int ermediate and highly oblique distributions decrease the range of pitc h-angles subject to diffusion, and reduce the local scattering rate b y an order of magnitude at pitch-angles where the principle absolute value of n = 1 resonances operate. Oblique waves allow the absolute va lue of n > 1 resonances to operate, extending the range of local pitc h-angle diffusion down to the loss cone, and increasing the diffusion at lower pitch angles by orders of magnitude; 2. The local diffusion coefficients derived from CRRES data are qualitatively similar to the local results obtained for prescribed plasma/wave parameters. Conseq uently, it is likely that the bounce-averaged diffusion coefficients, if estimated from concurrent data, will exhibit the dependencies similar to those we found for model calculations; 3. In comparison with f ield-aligned waves, intermediate and highly oblique waves decrease th e bounce-averaged scattering rate near the edge of the equatorial lo ss cone by orders of magnitude if the electron energy does not excee d a threshold (approximately equal to 2 - 5 MeV) depending on specified plasma and/or wave parameters; 4. For greater electron energies_ ob lique waves operating the absolute value of n > 1 resonances are more effective and provide the same bounce_averaged diffusion rate near the loss cone as fiel_aligned waves do.

  3. Large-scale parallel configuration interaction. II. Two- and four-component double-group general active space implementation with application to BiH

    DEFF Research Database (Denmark)

    Knecht, Stefan; Jensen, Hans Jørgen Aagaard; Fleig, Timo

    2010-01-01

    We present a parallel implementation of a large-scale relativistic double-group configuration interaction CIprogram. It is applicable with a large variety of two- and four-component Hamiltonians. The parallel algorithm is based on a distributed data model in combination with a static load balanci...

  4. Relativistic calculations of the non-resonant two-photon ionization of neutral atoms

    CERN Document Server

    Hofbrucker, Jiri; Fritzsche, Stephan

    2016-01-01

    The non-resonant two-photon one-electron ionization of neutral atoms is studied theoretically in the framework of relativistic second-order perturbation theory and independent particle approximation. In particular, the importance of relativistic and screening effects in the total two-photon ionization cross section is investigated. Detailed computations have been carried out for the K-shell ionization of neutral Ne, Ge, Xe, and U atoms. The relativistic effects significantly decrease the total cross section, for the case of U, for example, they reduce the total cross section by a factor of two. Moreover, we have found that the account for the screening effects of the remaining electrons leads to occurrence of an unexpected minimum in the total cross section at the total photon energies equal to the ionization threshold, for the case of Ne, for example, the cross section drops there by a factor of three.

  5. Configuration interaction wave functions: A seniority number approach

    Energy Technology Data Exchange (ETDEWEB)

    Alcoba, Diego R. [Departamento de Física, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires and Instituto de Física de Buenos Aires, Consejo Nacional de Investigaciones Científicas y Técnicas, Ciudad Universitaria, 1428 Buenos Aires (Argentina); Torre, Alicia; Lain, Luis, E-mail: qfplapel@lg.ehu.es [Departamento de Química Física, Facultad de Ciencia y Tecnología, Universidad del País Vasco, Apdo. 644, E-48080 Bilbao (Spain); Massaccesi, Gustavo E. [Departamento de Ciencias Exactas, Ciclo Básico Común, Universidad de Buenos Aires, Ciudad Universitaria, 1428 Buenos Aires (Argentina); Oña, Ofelia B. [Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas, Universidad Nacional de La Plata, CCT La Plata, Consejo Nacional de Investigaciones Científicas y Técnicas, Diag. 113 y 64 (S/N), Sucursal 4, CC 16, 1900 La Plata (Argentina)

    2014-06-21

    This work deals with the configuration interaction method when an N-electron Hamiltonian is projected on Slater determinants which are classified according to their seniority number values. We study the spin features of the wave functions and the size of the matrices required to formulate states of any spin symmetry within this treatment. Correlation energies associated with the wave functions arising from the seniority-based configuration interaction procedure are determined for three types of molecular orbital basis: canonical molecular orbitals, natural orbitals, and the orbitals resulting from minimizing the expectation value of the N-electron seniority number operator. The performance of these bases is analyzed by means of numerical results obtained from selected N-electron systems of several spin symmetries. The comparison of the results highlights the efficiency of the molecular orbital basis which minimizes the mean value of the seniority number for a state, yielding energy values closer to those provided by the full configuration interaction procedure.

  6. Relativistic and correlated calculations on the ground, excited, and ionized states of iodine

    NARCIS (Netherlands)

    de Jong, W.A.; Visscher, L; Nieuwpoort, W.C

    1997-01-01

    The electronic structure, spectroscopic, and bonding properties of the ground, excited, and ionized states of iodine are studied within a four-component relativistic framework using the MOLFDIR program package, The experimentally determined properties of the (1) Sigma(g)(+) ground state are well

  7. Monte Carlo configuration interaction applied to multipole moments, ionisation energies and electron affinities.

    Science.gov (United States)

    Coe, Jeremy P; Taylor, Daniel J; Paterson, Martin J

    2013-05-15

    The method of Monte Carlo configuration interaction (MCCI) (Greer, J. Chem. Phys. 1995a, 103, 1821; Tong, Nolan, Cheng, and Greer, Comp. Phys. Comm. 2000, 142, 132) is applied to the calculation of multipole moments. We look at the ground and excited state dipole moments in carbon monoxide. We then consider the dipole of NO, the quadrupole of N2 and of BH. An octupole of methane is also calculated. We consider experimental geometries and also stretched bonds. We show that these nonvariational quantities may be found to relatively good accuracy when compared with full configuration interaction results, yet using only a small fraction of the full configuration interaction space. MCCI results in the aug-cc-pVDZ basis are seen to generally have reasonably good agreement with experiment. We also investigate the performance of MCCI when applied to ionisation energies and electron affinities of atoms in an aug-cc-pVQZ basis. We compare the MCCI results with full configuration interaction quantum Monte Carlo (Booth and Alavi, J. Chem. Phys. 2010, 132, 174104; Cleland, Booth, and Alavi, J. Chem. Phys. 2011, 134, 024112) and "exact" nonrelativistic results (Booth and Alavi, J. Chem. Phys. 2010, 132, 174104; Cleland, Booth, and Alavi, J. Chem. Phys. 2011, 134, 024112). We show that MCCI could be a useful alternative for the calculation of atomic ionisation energies however electron affinities appear much more challenging for MCCI. Due to the small magnitude of the electron affinities their percentage errors can be high, but with regards to absolute errors MCCI performs similarly for ionisation energies and electron affinities. Copyright © 2013 Wiley Periodicals, Inc.

  8. One- and two-center ETF-integrals of first order in relativistic calculation of NMR parameters

    Science.gov (United States)

    Slevinsky, R. M.; Temga, T.; Mouattamid, M.; Safouhi, H.

    2010-06-01

    The present work focuses on the analytical and numerical developments of first-order integrals involved in the relativistic calculation of the shielding tensor using exponential-type functions as a basis set of atomic orbitals. For the analytical development, we use the Fourier integral transformation and practical properties of spherical harmonics and the Rayleigh expansion of the plane wavefunctions. The Fourier transforms of the operators were derived in previous work and they are used for analytical development. In both the one- and two-center integrals, Cauchy's residue theorem is used in the final developments of the analytical expressions, which are shown to be accurate to machine precision.

  9. Accurate non-Born-Oppenheimer calculations of the complete pure vibrational spectrum of D2 with including relativistic corrections

    Science.gov (United States)

    Bubin, Sergiy; Stanke, Monika; Adamowicz, Ludwik

    2011-08-01

    In this work we report very accurate variational calculations of the complete pure vibrational spectrum of the D2 molecule performed within the framework where the Born-Oppenheimer (BO) approximation is not assumed. After the elimination of the center-of-mass motion, D2 becomes a three-particle problem in this framework. As the considered states correspond to the zero total angular momentum, their wave functions are expanded in terms of all-particle, one-center, spherically symmetric explicitly correlated Gaussian functions multiplied by even non-negative powers of the internuclear distance. The nonrelativistic energies of the states obtained in the non-BO calculations are corrected for the relativistic effects of the order of α2 (where α = 1/c is the fine structure constant) calculated as expectation values of the operators representing these effects.

  10. Complete pure vibrational spectrum of HD calculated without the Born-Oppenheimer approximation and including relativistic corrections

    Science.gov (United States)

    Bubin, Sergiy; Stanke, Monika; Adamowicz, Ludwik

    2011-04-01

    All 18 bound pure vibrational levels of the HD molecule have been calculated within the framework that does not assume the Born-Oppenheimer (BO) approximation. The nonrelativistic energies of the states have been corrected for the relativistic effects of the order of α2 (where α is the fine structure constant), calculated using the perturbation theory with the nonrelativistic non-BO wave functions being the zero-order approximation. The calculations were performed by expanding the non-BO wave functions in terms of one-center explicitly correlated Gaussian functions multiplied by even powers of the internuclear distance and by performing extensive optimization of the Gaussian nonlinear parameters. Up to 10 000 basis functions were used for each state.

  11. Trends in magnetism of free Rh clusters via relativistic ab-initio calculations.

    Science.gov (United States)

    Šipr, O; Ebert, H; Minár, J

    2015-02-11

    A fully relativistic ab-initio study on free Rh clusters of 13-135 atoms is performed to identify general trends concerning their magnetism and to check whether concepts which proved to be useful in interpreting magnetism of 3d metals are applicable to magnetism of 4d systems. We found that there is no systematic relation between local magnetic moments and coordination numbers. On the other hand, the Stoner model appears well-suited both as a criterion for the onset of magnetism and as a guide for the dependence of local magnetic moments on the site-resolved density of states at the Fermi level. Large orbital magnetic moments antiparallel to spin magnetic moments were found for some sites. The intra-atomic magnetic dipole Tz term can be quite large at certain sites but as a whole it is unlikely to affect the interpretation of x-ray magnetic circular dichroism experiments based on the sum rules.

  12. Benchmarks for electronically excited states: Time-dependent density functional theory and density functional theory based multireference configuration interaction

    DEFF Research Database (Denmark)

    Silva-Junior, Mario R.; Schreiber, Marko; Sauer, Stephan P. A.

    2008-01-01

    Time-dependent density functional theory (TD-DFT) and DFT-based multireference configuration interaction (DFT/MRCI) calculations are reported for a recently proposed benchmark set of 28 medium-sized organic molecules. Vertical excitation energies, oscillator strengths, and excited-state dipole...

  13. Ab initio effective core potentials including relativistic effects and their application to the electronic structure calculations of heavy atoms and molecules

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Y.S.

    1977-11-01

    The effects of the 4f shell of electrons and the relativity of valence electrons are compared. The effect of 4f shell (lanthanide contraction) is estimated from the numerical Hartree-Fock (HF) calculations of pseudo-atoms corresponding to Hf, Re, Au, Hg, Tl, Pb and Bi without 4f electrons and with atomic numbers reduced by 14. The relativistic effect estimated from the numerical Dirac-Hartree-Fock (DHF) calculations of those atoms is comparable in the magnitude with that of the 4f shell of electrons. Both are larger for 6s than for 5d or 6p electrons. The various relativistic effects on valence electrons are discussed in detail to determine the proper level of the approximation for the valence electron calculations of systems with heavy elements. An effective core potential system has been developed for heavy atoms in which relativistic effects are included in the effective potentials.

  14. Approaching exact hyperpolarizabilities via sum-over-states Monte Carlo configuration interaction

    CERN Document Server

    Coe, J P

    2014-01-01

    We propose using sum-over-states calculations with the compact wavefunctions of Monte Carlo configuration interaction to approach accurate values for higher-order dipole properties up to second hyperpolarizabilities in a controlled way. We apply the approach to small systems that can generally be compared with full configuration interaction (FCI) results. We consider hydrogen fluoride with a 6-31g basis and then look at results, including frequency dependent properties, in an aug-cc-pVDZ basis. We extend one calculation beyond FCI by using an aug-cc-pVTZ basis. The properties of an H$_{4}$ molecule with multireference character are calculated in an aug-cc-pVDZ basis. We then investigate this method on a strongly multireference system with a larger FCI space by modelling the properties of carbon monoxide with a stretched geometry. The behavior of the approach with increasing basis size is considered by calculating results for the neon atom using aug-cc-pVDZ to aug-cc-pVQZ. We finally test if the unusual change...

  15. Electronic structure of CeO studied by a four-component relativistic configuration interaction method

    Science.gov (United States)

    Moriyama, Hiroko; Tatewaki, Hiroshi; Yamamoto, Shigeyoshi

    2013-06-01

    We studied the ground and excited states of CeO using the restricted active space CI method in the energy range below 25 000 cm-1. Energy levels are computed to within errors of 2700 cm-1. Electron correlation effects arising from the ionic core composed of Ce 5s, 5p, 4f*, 5d*, and O 2s, 2p spinors play crucial role to CeO spectra, as well as correlation effects of electrons distributed in the valence Ce 4f, 5d, 6s, and 6p spinors. Here, 4f* and 5d* denote spinors expanded to describe electron polarization between Ce and O. A bonding mechanism is proposed for CeO. As the two separate atoms in their ground states, Ce (4f 15d16s2) 1G4 and O (2s22p4) 3P2, approach each other, a CeO2+ core is formed by two-electron transfer from Ce 5d, 6s to O 2p. Inside this ellipsoidal ion, a valence bond between Ce 5p and O 2s and an ionic bond between O 2p and Ce 5p are formed with back-donation through Ce 4f* and 5d*.

  16. Relativistic Many-body Moller-Plesset Perturbation Theory Calculations of the Energy Levels and Transition Probabilities in Na- to P-like Xe Ions

    Energy Technology Data Exchange (ETDEWEB)

    Vilkas, M J; Ishikawa, Y; Trabert, E

    2007-03-27

    Relativistic multireference many-body perturbation theory calculations have been performed on Xe{sup 43+}-Xe{sup 39+} ions, resulting in energy levels, electric dipole transition probabilities, and level lifetimes. The second-order many-body perturbation theory calculation of energy levels included mass shifts, frequency-dependent Breit correction and Lamb shifts. The calculated transition energies and E1 transition rates are used to present synthetic spectra in the extreme ultraviolet range for some of the Xe ions.

  17. Development of Monte Carlo configuration interaction: Natural orbitals and second-order perturbation theory

    CERN Document Server

    Coe, J P; 10.1063/1.4767436

    2013-01-01

    Approximate natural orbitals are investigated as a way to improve a Monte Carlo configuration interaction (MCCI) calculation. We introduce a way to approximate the natural orbitals in MCCI and test these and approximate natural orbitals from MP2 and QCISD in MCCI calculations of single-point energies. The efficiency and accuracy of approximate natural orbitals in MCCI potential curve calculations for the double hydrogen dissociation of water, the dissociation of carbon monoxide and the dissociation of the nitrogen molecule are then considered in comparison with standard MCCI when using full configuration interaction as a benchmark. We also use the method to produce a potential curve for water in an aug-cc-pVTZ basis. A new way to quantify the accuracy of a potential curve is put forward that takes into account all of the points and that the curve can be shifted by a constant. We adapt a second-order perturbation scheme to work with MCCI (MCCIPT2) and improve the efficiency of the removal of duplicate states i...

  18. Relativistic many-body calculation of energies, transition rates, lifetimes, and multipole polarizabilities in Cs-like La iii

    Science.gov (United States)

    Safronova, U. I.; Safronova, M. S.

    2014-05-01

    Excitation energies of the [Xe]nd (n =5-9), [Xe]ns (n =6-10), [Xe]np (n =6-9), [Xe]nf (n =4-8), and [Xe]ng (n =5-8) states in La iii, where [Xe] = 1s22s22p63s23p63d104s24p64d105s25p6, are evaluated. Electric dipole matrix elements for the allowed transitions between the low-lying [Xe]nd, [Xe]ns, [Xe]np, [Xe]nf, and [Xe]ng states in the La iii ion are calculated using the high-precision relativistic all-order method where all single, double, and partial triple excitations of the Dirac-Fock wave functions are included to all orders of perturbation theory. Recommended values are provided for a large number of electric dipole matrix elements, oscillator strengths, transition rates, and lifetimes. Scalar and tensor polarizabilities of the states listed above are evaluated. The uncertainties of the recommended values are estimated. Electric quadrupole and magnetic dipole matrix elements are calculated to determine lifetimes of the 5d5/2 and 6s metastable levels. The ground-state E1, E2, and E3 static polarizabilities are calculated. This work provides recommended values critically evaluated for their accuracy for a number of La iii atomic properties for use in planning and analysis of various experiments as well as theoretical modeling.

  19. Relativistic multireference many-body perturbation theory calculations on Au64+ - Au69+ ions

    Energy Technology Data Exchange (ETDEWEB)

    Vilkas, M J; Ishikawa, Y; Trabert, E

    2006-03-31

    Many-body perturbation theory (MBPT) calculations are an adequate tool for the description of the structure of highly charged multi-electron ions and for the analysis of their spectra. They demonstrate this by way of a re-investigation of n=3, {Delta}n=0 transitions in the EUV spectra of Na-, Mg-, Al-like, and Si-like ions of Au that have been obtained previously by heavy-ion accelerator based beam-foil spectroscopy. They discuss the evidence and propose several revisions on the basis of the multi-reference many-body perturbation theory calculations of Ne- through P-like ions of Au.

  20. Multi-state effective Hamiltonian and size-consistency corrections in stochastic configuration interactions

    Science.gov (United States)

    Ten-no, Seiichiro L.

    2017-12-01

    Model space quantum Monte Carlo (MSQMC) is an extension of full configuration interaction QMC that allows us to calculate quasi-degenerate and excited electronic states by sampling the effective Hamiltonian in the model space. We introduce a novel algorithm based on the state-selective partitioning for the effective Hamiltonian using left eigenvectors to calculate several electronic states simultaneously at much less computational cost than the original MSQMC with the energy-dependent partitioning. The sampling of walkers in MSQMC is analyzed in the single reference limit using a stochastic algorithm for higher-order perturbation energies by the analogy of the deterministic case utilizing a full configuration interaction program. We further develop size-consistency corrections of the initiator adaptation (i-MSQMC) in three different ways, i.e., the coupled electron pair approximation, a posteriori, and second-order perturbative corrections. It is clearly demonstrated that most of the initiator error is originating from the deficiency of proper scaling of correlation energy due to its truncated CI nature of the initiator approximation and that the greater part of the error can be recovered by the size-consistency corrections developed in this work.

  1. Depth oscillations of electronuclear reaction yield initiated by relativistic planar channeled electrons: quantum versus classical calculations

    Science.gov (United States)

    Eikhorn, Yu. L.; Korotchenko, K. B.; Pivovarov, Yu. L.; Tukhfatullin, T. A.

    2017-07-01

    The first experiment on electronuclear reaction initated by axially channeled 700 MeV electrons in a Si crystal [1] revealed remarkable depth oscillations of reaction yield. The effect was satisfactory explained [2] by computer simulations using binary collisions model. In this work the oscillations effect is investigated for planar channeled electrons in a Si crystal using the new computer code BCM-1.0 which allows both classical and quantum calculations of channeled electrons flux density.

  2. Accurate non-Born-Oppenheimer calculations of the lowest vibrational energies of D2 and T2 with including relativistic corrections

    Science.gov (United States)

    Bubin, Sergiy; Stanke, Monika; Molski, Marcin; Adamowicz, Ludwik

    2010-07-01

    In this work we report very accurate variational calculations of the two lowest vibrational states of the D2 and T2 molecules within the framework that does not assume the Born-Oppenheimer approximation. The non-relativistic energies of the states obtained in the non-BO calculations are corrected for the relativistic effects of the order of α2 calculated as expectation values of the operators representing these effects. The v=0→1 transition energy of D2 obtained in the calculations is compared with the transition frequency obtained from the experimental spectra. The comparison shows the need to include corrections higher than second-order in α to further improve the agreement between the theory and the experiment.

  3. A combined DFT and restricted open-shell configuration interaction method including spin-orbit coupling: application to transition metal L-edge X-ray absorption spectroscopy.

    Science.gov (United States)

    Roemelt, Michael; Maganas, Dimitrios; DeBeer, Serena; Neese, Frank

    2013-05-28

    A novel restricted-open-shell configuration interaction with singles (ROCIS) approach for the calculation of transition metal L-edge X-ray absorption spectra is introduced. In this method, one first calculates the ground state and a number of excited states of the non-relativistic Hamiltonian. By construction, the total spin is a good quantum number in each of these states. For a ground state with total spin S excited states with spin S' = S, S - 1, and S + 1 are constructed. Using Wigner-Eckart algebra, all magnetic sublevels with MS = S,..., -S for each multiplet of spin S are obtained. The spin-orbit operator is represented by a mean-field approximation to the full Breit-Pauli spin-orbit operator and is diagonalized over this N-particle basis. This is equivalent to a quasi-degenerate treatment of the spin-orbit interaction to all orders. Importantly, the excitation space spans all of the molecular multiplets that arise from the atomic Russell-Saunders terms. Hence, the method represents a rigorous first-principles approach to the complicated low-symmetry molecular multiplet problem met in L-edge X-ray absorption spectroscopy. In order to gain computational efficiency, as well as additional accuracy, the excitation space is restricted to single excitations and the configuration interaction matrix is slightly parameterized in order to account for dynamic correlation effects in an average way. To this end, it is advantageous to employ Kohn-Sham rather than Hartree-Fock orbitals thus defining the density functional theory∕ROCIS method. However, the method can also be used in an entirely non-empirical fashion. Only three global empirical parameters are introduced and have been determined here for future application of the method to any system containing any transition metal. The three parameters were carefully calibrated using the L-edge X-ray absorption spectroscopy spectra of a test set of coordination complexes containing first row transition metals. These

  4. Relativistic R-matrix calculations for photoionization cross-sections of C IV: implications for photorecombination of C V

    Science.gov (United States)

    Sardar, Shahid; Xu, Xin; Xu, Long-Quan; Zhu, Lin-Fan

    2018-02-01

    In this paper we present photoionization cross-sections of the ground and excited states of Li-like carbon (C IV) in the framework of fully relativistic R-matrix formalism as implemented in Dirac atomic R-matrix code. For target wavefunctions expansion, Multiconfiguration Dirac Hartree Fock calculations are performed for the lowest 17 target states of He-like carbon (C V) arising from 1s2 and 1snl, with n = 2, 3 and l = s, p, d configurations. Our target energy levels and transition parameters belonging to these levels are ascertained to be in excellent agreement with the experimental and the well-established theoretical results. We use the principle of detailed balance to get the photorecombination (PR) cross-sections of the ground state of C V. Both photoionization and PR cross-sections manifest important KLL and KLM resonance structures which are in very good agreement with the accurate measurements at Advanced Light Source (ion photon end beam station) and CRYRING (synchrotron storage ring).

  5. Relativistic methods for chemists

    CERN Document Server

    Barysz, Maria

    2010-01-01

    "Relativistic Methods for Chemists", written by a highly qualified team of authors, is targeted at both experimentalists and theoreticians interested in the area of relativistic effects in atomic and molecular systems and processes and in their consequences for the interpretation of the heavy element's chemistry. The theoretical part of the book focuses on the relativistic methods for molecular calculations discussing relativistic two-component theory, density functional theory, pseudopotentials and correlations. The experimentally oriented chapters describe the use of relativistic methods in different applications focusing on the design of new materials based on heavy element compounds, the role of the spin-orbit coupling in photochemistry and photobiology, and chirality and its relations to relativistic description of matter and radiation. This book is written at an intermediate level in order to appeal to a broader audience than just experts working in the field of relativistic theory.

  6. Vibrational transitions of the 7LiH+ ion calculated without the Born-Oppenheimer approximation and with leading relativistic corrections

    Science.gov (United States)

    Bubin, Sergiy; Stanke, Monika; Adamowicz, Ludwik

    2011-01-01

    We recently presented very accurate calculations of the fundamental vibrational frequency of the ^7LiH^+ and ^3He^4He^+ ions [Stanke et al. Phys. Rev. A 79, 060501(R) (2009)] performed without the Born-Oppenheimer approximation and included leading relativistic corrections. The accuracy of those calculations was estimated to be of the order of 0.06 cm^{-1}. In the present work we extend the calculations to the remaining pure vibrational states of ^7LiH^+ and similarly accurate results are generated. They may lead to the experimental search for still unidentified lines corresponding to those transitions.

  7. Virtual Orbital Many-Body Expansions: A Possible Route towards the Full Configuration Interaction Limit.

    Science.gov (United States)

    Eriksen, Janus J; Lipparini, Filippo; Gauss, Jürgen

    2017-09-21

    It is demonstrated how full configuration interaction (FCI) results in extended basis sets may be obtained to within sub-kJ/mol accuracy by decomposing the energy in terms of many-body expansions in the virtual orbitals of the molecular system at hand. This extension of the FCI application range lends itself to two unique features of the current approach, namely, that the total energy calculation can be performed entirely within considerably reduced orbital subspaces and may be so by means of embarrassingly parallel programming. Facilitated by a rigorous and methodical screening protocol and further aided by expansion points different from the Hartree-Fock solution, all-electron numerical results are reported for H2O in polarized core-valence basis sets ranging from double-ζ (10 e, 28 o) to quadruple-ζ (10 e, 144 o) quality.

  8. A full-configuration-interaction nuclear orbital approach and application for small doped He clusters

    Energy Technology Data Exchange (ETDEWEB)

    Lara-Castells, M. P. de, E-mail: delara@iff.csic.es; Aguirre, N. F., E-mail: delara@iff.csic.es; Delgado-Barrio, G., E-mail: delara@iff.csic.es; Villarreal, P., E-mail: delara@iff.csic.es [Instituto de Física Fundamental (CSIC), Serrano 123, 28006 Madrid (Spain); Mitrushchenkov, A. O. [Université Paris-Est, Laboratoire Modélisation et Simulation Multi Echelle, MSME UMR 8208 CNRS, 5 bd Descartes, 77454 Marne-la-Vallée (France)

    2015-01-22

    An efficient full-configuration-interaction 'nuclear orbital' treatment was developed as a benchmark quantum-chemistry-like method to calculate, ground and excited, fermionic 'solvent' wave-functions and applied to {sup 3}He{sub N} clusters with atomic or molecular impurities [J. Chem. Phys. (Communication) 125, 221101 (2006)]. The main difficulty in handling doped {sup 3}He{sub N} clusters lies in the Fermi-Dirac nuclear statistics, the wide amplitudes of the He-dopant and He-He motions, and the hard-core He-He interaction at short distances. This paper overviews the theoretical approach and its recent applications to energetic, structural and spectroscopic aspects of different dopant-{sup 3}He{sub N} clusters. Preliminary results by using the latest version of the FCI-NO computational implementation, to bosonic Cl{sub 2}(X)-({sup 4}He){sub N} clusters, are also shown.

  9. The electronic states of 1,2,3-triazole studied by vacuum ultraviolet photoabsorption and ultraviolet photoelectron spectroscopy, and a comparison with ab initio configuration interaction methods

    DEFF Research Database (Denmark)

    Palmer, Michael H.; Hoffmann, Søren Vrønning; Jones, Nykola C.

    2011-01-01

    The Rydberg states in the vacuum ultraviolet photoabsorption spectrum of 1,2,3-triazole have been measured and analyzed with the aid of comparison to the UV valence photoelectron ionizations and the results of ab initio configuration interaction (CI) calculations. Calculated electronic ionization...

  10. Decomposition of the configuration-interaction coefficients in the multiconfiguration time-dependent Hartree-Fock method

    Energy Technology Data Exchange (ETDEWEB)

    Lötstedt, Erik, E-mail: lotstedt@chem.s.u-tokyo.ac.jp; Kato, Tsuyoshi; Yamanouchi, Kaoru [Department of Chemistry, School of Science, The University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo 113-0033 (Japan)

    2016-04-21

    An approximate implementation of the multiconfiguration time-dependent Hartree-Fock method is proposed, in which the matrix of configuration-interaction coefficients is decomposed into a product of matrices of smaller dimension. The applicability of this method in which all the configurations are kept in the expansion of the wave function, while the configuration-interaction coefficients are approximately calculated, is discussed by showing the results on three model systems: a one-dimensional model of a beryllium atom, a one-dimensional model of a carbon atom, and a one-dimensional model of a chain of four hydrogen atoms. The time-dependent electronic dynamics induced by a few-cycle, long-wavelength laser pulse is found to be well described at a lower computational cost compared to the standard multiconfiguration time-dependent Hartree-Fock treatment. Drawbacks of the method are also discussed.

  11. Single and double valence configuration interactions for recovering the exponential decay law while tunneling through a molecular wire

    Science.gov (United States)

    Portais, Mathilde; Hliwa, Mohamed; Joachim, Christian

    2016-01-01

    The exponential decay of the electronic transmission through a molecular wire with its length is calculated using a configuration interaction elastic scattering quantum chemistry (CI-ESQC) theory [1, 2]. In the HOMO-LUMO gap and in a one-electron approximation, this decay is exponential since the scattering matrix comes from a product of spatial propagators along the wire. In a valence SD-CI (single and double-configurations interaction) description, such a product does not exist. An effective one was numerically obtained from the CI-ESQC scattering matrix. Fluctuations over the effective CI-exponential decay come from the truncation of the full CI basis set and also from many-body exchange-correlation effects along the molecular wire.

  12. Relativistic Coulomb fission

    Science.gov (United States)

    Norbury, John W.

    Nuclear fission reactions induced by the electromagnetic field of relativistic nuclei are studied for energies relevant to present and future relativistic heavy ion accelerators. Cross sections are calculated for U-238 and Pu-239 fission induced by C-12, Si-28, Au-197, and U-238 projectiles. It is found that some of the cross sections can exceed 10 b.

  13. Five lowest S1 states of the Be atom calculated with a finite-nuclear-mass approach and with relativistic and QED corrections

    Science.gov (United States)

    Stanke, Monika; Komasa, Jacek; Bubin, Sergiy; Adamowicz, Ludwik

    2009-08-01

    We have performed very accurate quantum mechanical calculations of the five lowest S states of the beryllium atom. In the nonrelativistic part of the calculations we used the variational method and we explicitly included the nuclear motion in the Schrödinger equation. The nonrelativistic wave functions of the five states were expanded in terms of explicitly correlated Gaussian functions. These wave functions were used to calculate the leading α2 relativistic correction ( α is the fine structure constant) and the α3 quantum electrodynamics (QED) correction. We also estimated the α4 QED correction by calculating its dominant component. A comparison of the experimental transition frequencies with the frequencies obtained based on the energies calculated in this work shows an excellent agreement.

  14. Complete active space configuration interaction from state-averaged configuration interaction singles natural orbitals: Analytic first derivatives and derivative coupling vectors.

    Science.gov (United States)

    Fales, B Scott; Shu, Yinan; Levine, Benjamin G; Hohenstein, Edward G

    2017-09-07

    A new complete active space configuration interaction (CASCI) method was recently introduced that uses state-averaged natural orbitals from the configuration interaction singles method (configuration interaction singles natural orbital CASCI, CISNO-CASCI). This method has been shown to perform as well or better than state-averaged complete active space self-consistent field for a variety of systems. However, further development and testing of this method have been limited by the lack of available analytic first derivatives of the CISNO-CASCI energy as well as the derivative coupling between electronic states. In the present work, we present a Lagrangian-based formulation of these derivatives as well as a highly efficient implementation of the resulting equations accelerated with graphical processing units. We demonstrate that the CISNO-CASCI method is practical for dynamical simulations of photochemical processes in molecular systems containing hundreds of atoms.

  15. Cost-Effective Treatment of Scalar Relativistic Effects for Multireference Systems: A CASSCF Implementation Based on the Spin-free Dirac-Coulomb Hamiltonian.

    Science.gov (United States)

    Lipparini, Filippo; Gauss, Jürgen

    2016-09-13

    We present an implementation of the complete active space-self-consistent field (CASSCF) method specifically designed to be used in four-component scalar relativistic calculations based on the spin-free Dirac-Coulomb (SFDC) Hamiltonian. Our implementation takes full advantage of the properties of the SFDC Hamiltonian that allow us to use real algebra and to exploit point-group and spin symmetry to their full extent while including in a rigorous way scalar relativistic effects in the treatment. The SFDC-CASSCF treatment is more expensive than its non-relativistic counterpart only in the orbital optimization step, while exhibiting the same computational cost for the rate-determining full configuration interaction part. The numerical aspects are discussed, and the capabilities of the SFDC-CASSCF methodology are demonstrated through a pilot application.

  16. An explicitly correlated approach to basis set incompleteness in full configuration interaction quantum Monte Carlo.

    Science.gov (United States)

    Booth, George H; Cleland, Deidre; Alavi, Ali; Tew, David P

    2012-10-28

    By performing a stochastic dynamic in a space of Slater determinants, the full configuration interaction quantum Monte Carlo (FCIQMC) method has been able to obtain energies which are essentially free from systematic error to the basis set correlation energy, within small and systematically improvable error bars. However, the weakly exponential scaling with basis size makes converging the energy with respect to basis set costly and in larger systems, impossible. To ameliorate these basis set issues, here we use perturbation theory to couple the FCIQMC wavefunction to an explicitly correlated strongly orthogonal basis of geminals, following the [2](R12) approach of Valeev et al. The required one- and two-particle density matrices are computed on-the-fly during the FCIQMC dynamic, using a sampling procedure which incurs relatively little additional computation expense. The F12 energy corrections are shown to converge rapidly as a function of sampling, both in imaginary time and number of walkers. Our pilot calculations on the binding curve for the carbon dimer, which exhibits strong correlation effects as well as substantial basis set dependence, demonstrate that the accuracy of the FCIQMC-F12 method surpasses that of all previous FCIQMC calculations, and that the F12 correction improves results equivalent to increasing the quality of the one-electron basis by two cardinal numbers.

  17. Lower vibrational transitions of the 3He 4He + ion calculated without the Born-Oppenheimer approximation and with leading relativistic corrections

    Science.gov (United States)

    Bubin, Sergiy; Stanke, Monika; Adamowicz, Ludwik

    2010-11-01

    Very accurate variational calculations of the five lowest vibrational states of the 3He 4He + ion are carried out within a framework that does not assume the Born-Oppenheimer (BO) approximation, i.e., treating the two nuclei and three electrons forming the system on an equal footing. The non-BO wave functions are expanded in terms of one-center explicitly correlated Gaussian functions multiplied by even powers of the internuclear distance. The wave functions are used to calculate the leading relativistic corrections. The approach reproduces the experimental 3He 4He + fundamental transition within 0.055 cm -1 and similar accuracy is expected for the higher yet unmeasured vibrational transitions determined in the present calculations.

  18. Angle-Dependent Ionization of Small Molecules by Time-Dependent Configuration Interaction and an Absorbing Potential.

    Science.gov (United States)

    Krause, Pascal; Schlegel, H Bernhard

    2015-06-04

    The angle-dependence of strong field ionization of O2, N2, CO2, and CH2O has been studied theoretically using a time-dependent configuration interaction approach with a complex absorbing potential (TDCIS-CAP). Calculation of the ionization yields as a function of the direction of polarization of the laser pulse produces three-dimensional surfaces of the angle-dependent ionization probability. These three-dimensional shapes and their variation with laser intensity can be interpreted in terms of ionization from the highest occupied molecular orbital (HOMO) and lower lying orbitals, and the Dyson orbitals for the ground and excited states of the cations.

  19. Relativistic three-body calculations of a Y=1, I=3/2 , J{sup P}=2{sup +}{pi}{Lambda}N-{pi}{Sigma}N dibaryon

    Energy Technology Data Exchange (ETDEWEB)

    Garcilazo, H., E-mail: humberto@esfm.ipn.mx [Escuela Superior de Fisica y Matematicas, Instituto Politecnico Nacional, Edificio 9, 07738 Mexico D.F. (Mexico); Gal, A., E-mail: avragal@savion.huji.ac.il [Racah Institute of Physics, Hebrew University, Jerusalem 91904 (Israel)

    2013-01-02

    The {pi}{Lambda}N-{pi}{Sigma}N coupled-channel system with quantum numbers (Y,I,J{sup P})=(1,3/2 ,2{sup +}) is studied in a relativistic three-body model, using two-body separable interactions in the dominant p-wave pion-baryon and {sup 3}S{sub 1}YN channels. Three-body equations are solved in the complex energy plane to search for quasibound state and resonance poles, producing a robust narrow {pi}{Lambda}N resonance about 10-20 MeV below the {pi}{Sigma}N threshold. Viewed as a dibaryon, it is a {sup 5}S{sub 2} quasibound state consisting of {Sigma}(1385)N and {Delta}(1232)Y components. Comparison is made between the present relativistic model calculation and a previous, outdated nonrelativistic calculation which resulted in a {pi}{Lambda}N bound state. Effects of adding a K{sup Macron }NN channel are studied and found insignificant. Possible production and decay reactions of this (Y,I,J{sup P})=(1,3/2 ,2{sup +}) dibaryon are discussed.

  20. Optical spectroscopy and system–bath interactions in molecular aggregates with full configuration interaction Frenkel exciton model

    Energy Technology Data Exchange (ETDEWEB)

    Seibt, Joachim; Sláma, Vladislav; Mančal, Tomáš, E-mail: mancal@karlov.mff.cuni.cz

    2016-12-20

    Highlights: • Standard Frenkel exciton model is extended to include inter-band coupling. • It is formally linked with configuration interaction method of quantum chemistry. • Spectral shifts due to inter-band coupling are found in molecular aggregates. • Effects of peak amplitude redistribution in two-dimensional spectra are found. - Abstract: Standard application of the Frenkel exciton model neglects resonance coupling between collective molecular aggregate states with different number of excitations. These inter-band coupling terms are, however, of the same magnitude as the intra-band coupling between singly excited states. We systematically derive the Frenkel exciton model from quantum chemical considerations, and identify it as a variant of the configuration interaction method. We discuss all non-negligible couplings between collective aggregate states, and provide compact formulae for their calculation. We calculate absorption spectra of molecular aggregate of carotenoids and identify significant band shifts as a result of inter-band coupling. The presence of inter-band coupling terms requires renormalization of the system–bath coupling with respect to standard formulation, but renormalization effects are found to be weak. We present detailed discussion of molecular dimer and calculate its time-resolved two-dimensional Fourier transformed spectra to find weak but noticeable effects of peak amplitude redistribution due to inter-band coupling.

  1. State-averaged Monte Carlo configuration interaction applied to electronically excited states

    CERN Document Server

    Coe, J P

    2014-01-01

    We introduce state-averaging into the method of Monte Carlo configuration interaction (SA-MCCI) to allow the stable and efficient calculation of excited states. We show that excited potential curves for H$_{3}$, including a crossing with the ground state, can be accurately reproduced using a small fraction of the FCI space. A recently introduced error measure for potential curves [J. P. Coe and M. J. Paterson, J. Chem. Phys., 137, 204108 (2012)] is shown to also be a fair approach when considering potential curves for multiple states. We demonstrate that potential curves for LiF using SA-MCCI agree well with the FCI results and the avoided crossing occurs correctly. The seam of conical intersections for CH$_{2}$ found by Yarkony [J. Chem. Phys., 104, 2932 (1996)] is used as a test for SA-MCCI and we compare potential curves from SA-MCCI with FCI results for this system for the first three triplet states. We then demonstrate the improvement from using SA-MCCI on the dipole of the $2$ $^{1}A_{1}$ state of carbo...

  2. Estimation of Δ R/ R values by benchmark study of the Mössbauer Isomer shifts for Ru, Os complexes using relativistic DFT calculations

    Science.gov (United States)

    Kaneko, Masashi; Yasuhara, Hiroki; Miyashita, Sunao; Nakashima, Satoru

    2017-11-01

    The present study applies all-electron relativistic DFT calculation with Douglas-Kroll-Hess (DKH) Hamiltonian to each ten sets of Ru and Os compounds. We perform the benchmark investigation of three density functionals (BP86, B3LYP and B2PLYP) using segmented all-electron relativistically contracted (SARC) basis set with the experimental Mössbauer isomer shifts for 99Ru and 189Os nuclides. Geometry optimizations at BP86 theory of level locate the structure in a local minimum. We calculate the contact density to the wavefunction obtained by a single point calculation. All functionals show the good linear correlation with experimental isomer shifts for both 99Ru and 189Os. Especially, B3LYP functional gives a stronger correlation compared to BP86 and B2PLYP functionals. The comparison of contact density between SARC and well-tempered basis set (WTBS) indicated that the numerical convergence of contact density cannot be obtained, but the reproducibility is less sensitive to the choice of basis set. We also estimate the values of Δ R/ R, which is an important nuclear constant, for 99Ru and 189Os nuclides by using the benchmark results. The sign of the calculated Δ R/ R values is consistent with the predicted data for 99Ru and 189Os. We obtain computationally the Δ R/ R values of 99Ru and 189Os (36.2 keV) as 2.35×10-4 and -0.20×10-4, respectively, at B3LYP level for SARC basis set.

  3. Estimation of ΔR/R values by benchmark study of the Mössbauer Isomer shifts for Ru, Os complexes using relativistic DFT calculations

    Energy Technology Data Exchange (ETDEWEB)

    Kaneko, Masashi [Japan Atomic Energy Agency, Nuclear Science and Engineering Center (Japan); Yasuhara, Hiroki; Miyashita, Sunao; Nakashima, Satoru, E-mail: snaka@hiroshima-u.ac.jp [Hiroshima University, Graduate School of Science (Japan)

    2017-11-15

    The present study applies all-electron relativistic DFT calculation with Douglas-Kroll-Hess (DKH) Hamiltonian to each ten sets of Ru and Os compounds. We perform the benchmark investigation of three density functionals (BP86, B3LYP and B2PLYP) using segmented all-electron relativistically contracted (SARC) basis set with the experimental Mössbauer isomer shifts for {sup 99}Ru and {sup 189}Os nuclides. Geometry optimizations at BP86 theory of level locate the structure in a local minimum. We calculate the contact density to the wavefunction obtained by a single point calculation. All functionals show the good linear correlation with experimental isomer shifts for both {sup 99}Ru and {sup 189}Os. Especially, B3LYP functional gives a stronger correlation compared to BP86 and B2PLYP functionals. The comparison of contact density between SARC and well-tempered basis set (WTBS) indicated that the numerical convergence of contact density cannot be obtained, but the reproducibility is less sensitive to the choice of basis set. We also estimate the values of ΔR/R, which is an important nuclear constant, for {sup 99}Ru and {sup 189}Os nuclides by using the benchmark results. The sign of the calculated ΔR/R values is consistent with the predicted data for {sup 99}Ru and {sup 189}Os. We obtain computationally the ΔR/R values of {sup 99}Ru and {sup 189}Os (36.2 keV) as 2.35×10{sup −4} and −0.20×10{sup −4}, respectively, at B3LYP level for SARC basis set.

  4. Isotope shifts of the three lowest 1S states of the B+ ion calculated with a finite-nuclear-mass approach and with relativistic and quantum electrodynamics corrections

    Science.gov (United States)

    Bubin, Sergiy; Komasa, Jacek; Stanke, Monika; Adamowicz, Ludwik

    2010-03-01

    We present very accurate quantum mechanical calculations of the three lowest S-states [1s22s2(S10), 1s22p2(S10), and 1s22s3s(S10)] of the two stable isotopes of the boron ion, B10+ and B11+. At the nonrelativistic level the calculations have been performed with the Hamiltonian that explicitly includes the finite mass of the nucleus as it was obtained by a rigorous separation of the center-of-mass motion from the laboratory frame Hamiltonian. The spatial part of the nonrelativistic wave function for each state was expanded in terms of 10 000 all-electron explicitly correlated Gaussian functions. The nonlinear parameters of the Gaussians were variationally optimized using a procedure involving the analytical energy gradient determined with respect to the nonlinear parameters. The nonrelativistic wave functions of the three states were subsequently used to calculate the leading α2 relativistic corrections (α is the fine structure constant; α =1/c, where c is the speed of light) and the α3 quantum electrodynamics (QED) correction. We also estimated the α4 QED correction by calculating its dominant component. A comparison of the experimental transition frequencies with the frequencies obtained based on the energies calculated in this work shows an excellent agreement. The discrepancy is smaller than 0.4 cm-1.

  5. Resolution-of-identity stochastic time-dependent configuration interaction for dissipative electron dynamics in strong fields

    Energy Technology Data Exchange (ETDEWEB)

    Klinkusch, Stefan; Tremblay, Jean Christophe [Institute for Chemistry and Biochemistry, Freie Universität Berlin, Takustr. 3, D-14195 Berlin (Germany)

    2016-05-14

    In this contribution, we introduce a method for simulating dissipative, ultrafast many-electron dynamics in intense laser fields. The method is based on the norm-conserving stochastic unraveling of the dissipative Liouville-von Neumann equation in its Lindblad form. The N-electron wave functions sampling the density matrix are represented in the basis of singly excited configuration state functions. The interaction with an external laser field is treated variationally and the response of the electronic density is included to all orders in this basis. The coupling to an external environment is included via relaxation operators inducing transition between the configuration state functions. Single electron ionization is represented by irreversible transition operators from the ionizing states to an auxiliary continuum state. The method finds its efficiency in the representation of the operators in the interaction picture, where the resolution-of-identity is used to reduce the size of the Hamiltonian eigenstate basis. The zeroth-order eigenstates can be obtained either at the configuration interaction singles level or from a time-dependent density functional theory reference calculation. The latter offers an alternative to explicitly time-dependent density functional theory which has the advantage of remaining strictly valid for strong field excitations while improving the description of the correlation as compared to configuration interaction singles. The method is tested on a well-characterized toy system, the excitation of the low-lying charge transfer state in LiCN.

  6. Resolution-of-identity stochastic time-dependent configuration interaction for dissipative electron dynamics in strong fields

    Science.gov (United States)

    Klinkusch, Stefan; Tremblay, Jean Christophe

    2016-05-01

    In this contribution, we introduce a method for simulating dissipative, ultrafast many-electron dynamics in intense laser fields. The method is based on the norm-conserving stochastic unraveling of the dissipative Liouville-von Neumann equation in its Lindblad form. The N-electron wave functions sampling the density matrix are represented in the basis of singly excited configuration state functions. The interaction with an external laser field is treated variationally and the response of the electronic density is included to all orders in this basis. The coupling to an external environment is included via relaxation operators inducing transition between the configuration state functions. Single electron ionization is represented by irreversible transition operators from the ionizing states to an auxiliary continuum state. The method finds its efficiency in the representation of the operators in the interaction picture, where the resolution-of-identity is used to reduce the size of the Hamiltonian eigenstate basis. The zeroth-order eigenstates can be obtained either at the configuration interaction singles level or from a time-dependent density functional theory reference calculation. The latter offers an alternative to explicitly time-dependent density functional theory which has the advantage of remaining strictly valid for strong field excitations while improving the description of the correlation as compared to configuration interaction singles. The method is tested on a well-characterized toy system, the excitation of the low-lying charge transfer state in LiCN.

  7. A hybrid configuration interaction treatment based on seniority number and excitation schemes

    Energy Technology Data Exchange (ETDEWEB)

    Alcoba, Diego R.; Capuzzi, Pablo [Departamento de Física, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires and Instituto de Física de Buenos Aires, Consejo Nacional de Investigaciones Científicas y Técnicas, Ciudad Universitaria, 1428 Buenos Aires (Argentina); Torre, Alicia; Lain, Luis, E-mail: qfplapel@lg.ehu.es [Departamento de Química Física, Facultad de Ciencia y Tecnología, Universidad del País Vasco, Apdo. 644 E-48080 Bilbao (Spain); Oña, Ofelia B. [Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas, Universidad Nacional de La Plata, CCT La Plata, Consejo Nacional de Investigaciones Científicas y Técnicas, Diag. 113 y 64 (S/N), Sucursal 4, CC 16, 1900 La Plata (Argentina); Van Raemdonck, Mario; Bultinck, Patrick [Department of Inorganic and Physical Chemistry, Ghent University, Krijgslaan 281 (S3), 9000 Gent (Belgium); Van Neck, Dimitri [Center for Molecular Modelling, Ghent University, Technologiepark 903, 9052 Zwijnaarde (Belgium)

    2014-12-28

    We present a configuration interaction method in which the Hamiltonian of an N-electron system is projected on Slater determinants selected according to the seniority-number criterion along with the traditional excitation-based procedure. This proposed method is especially useful to describe systems which exhibit dynamic (weak) correlation at determined geometric arrangements (where the excitation-based procedure is more suitable) but show static (strong) correlation at other arrangements (where the seniority-number technique is preferred). The hybrid method amends the shortcomings of both individual determinant selection procedures, yielding correct shapes of potential energy curves with results closer to those provided by the full configuration interaction method.

  8. Relativistic astrophysics

    CERN Document Server

    Demianski, Marek

    2013-01-01

    Relativistic Astrophysics brings together important astronomical discoveries and the significant achievements, as well as the difficulties in the field of relativistic astrophysics. This book is divided into 10 chapters that tackle some aspects of the field, including the gravitational field, stellar equilibrium, black holes, and cosmology. The opening chapters introduce the theories to delineate gravitational field and the elements of relativistic thermodynamics and hydrodynamics. The succeeding chapters deal with the gravitational fields in matter; stellar equilibrium and general relativity

  9. Relativistic quantum mechanics; Mecanique quantique relativiste

    Energy Technology Data Exchange (ETDEWEB)

    Ollitrault, J.Y. [CEA Saclay, 91 - Gif-sur-Yvette (France). Service de Physique Theorique]|[Universite Pierre et Marie Curie, 75 - Paris (France)

    1998-12-01

    These notes form an introduction to relativistic quantum mechanics. The mathematical formalism has been reduced to the minimum in order to enable the reader to calculate elementary physical processes. The second quantification and the field theory are the logical followings of this course. The reader is expected to know analytical mechanics (Lagrangian and Hamiltonian), non-relativistic quantum mechanics and some basis of restricted relativity. The purpose of the first 3 chapters is to define the quantum mechanics framework for already known notions about rotation transformations, wave propagation and restricted theory of relativity. The next 3 chapters are devoted to the application of relativistic quantum mechanics to a particle with 0,1/5 and 1 spin value. The last chapter deals with the processes involving several particles, these processes require field theory framework to be thoroughly described. (A.C.) 2 refs.

  10. Positron-attachment to small molecules: Vibrational enhancement of positron affinities with configuration interaction level of multi-component molecular orbital approach

    Energy Technology Data Exchange (ETDEWEB)

    Tachikawa, Masanori [Quantum Chemistry Division, Graduate School of NanoBioScience, Yokohama City University, 22-2 Seto, Kanazawa, Yokohama 236-0027 (Japan)

    2015-12-31

    To theoretically demonstrate the binding of a positron to small polarized molecules, we have calculated the vibrational averaged positron affinity (PA) values along the local vibrational contribution with the configuration interaction level of multi-component molecular orbital method. This method can take the electron-positron correlation contribution into account through single electronic - single positronic excitation configurations. The PA values are enhanced by including the local vibrational contribution from vertical PA values due to the anharmonicity of the potential.

  11. CONFIGURATION-INTERACTION IN NI METAL AND NI-ALLOYS AND HIGH-ENERGY SPECTROSCOPY

    NARCIS (Netherlands)

    TANAKA, A; JO, T; SAWATZKY, GA

    We discuss the electronic state of Ni atoms in Ni metal and of Ni impurity in Cu and Au metals from the viewpoint of 3d configuration interaction (CI) using the Anderson impurity model including atomic multiplets. On the basis of the discussion, we give an interpretation for the Ni 2p-core X-ray

  12. A new relativistic Hartree-Fock calculation scheme and its application to the evaluation of fine-structure intervals for nd (n = 3-40) series of sodium

    Science.gov (United States)

    He, Liming; Zhu, Yunxia; Zhang, Meng; Tu, Yaoquan

    2011-11-01

    We present a new second-order representation of the relativistic Hartree-Fock equation, which can be solved by the standard Hartree-Fock technique. An alternative reduction for the magnetic part of the Breit interaction is presented in an explicit expression. A corresponding program has been developed, which improves significantly the scaled linear mesh introduced by Herman and Skillman. The structures for a number of atoms and ions are calculated and the agreement of our results with those published is excellent. We evaluate the fine-structure intervals of nd(n = 3-40) Rydberg series for sodium. The inverted fine-structure splitting values are obtained directly as the differences of eigenvalues obtained from a self-consistent field procedure. Taking into account the Gaunt effect enables the accuracy of the calculation to be substantially improved. The complete treatments reproduce very well the inverted fine structures along the Rydberg series and the relative difference between the present results and the experiments does not exceed 4.4%.

  13. Semi empirical formula to calculate MSP of relativistic electrons in the range of 940 keV–1020 keV

    Directory of Open Access Journals (Sweden)

    S. Ramesh Babu

    2016-01-01

    Full Text Available A semi empirical formula has been obtained to calculate the Mass stopping power (MSP of relativistic electrons in the energy range of 950 keV–1050 keV, for any material of atomic number or Zeff ranging from 10–82. The MSP of 942 keV and 1016 keV internal conversion electrons of Bi207 are obtained by allowing them to pass through the targets of atomic numbers 13, 29, 47, 50, 79 and 82. The energies of the incident and transmitted electrons are measured using a Si(Li detector coupled to 8 K multi channel analyzer and the MSP has been determined from the measured incident and transmitted energies. The resultant variation of MSP with the atomic number of the material is plotted and best fitted to a first order exponential equation. The results predicted by this semi empirical formula are compared with the NIST-ESTAR database & Batra's formula and found to be in good agreement. Application of this formula to calculate the MSP and effective atomic number of any biological sample or compound is discussed.

  14. Laser-induced electron dynamics including photoionization: A heuristic model within time-dependent configuration interaction theory.

    Science.gov (United States)

    Klinkusch, Stefan; Saalfrank, Peter; Klamroth, Tillmann

    2009-09-21

    We report simulations of laser-pulse driven many-electron dynamics by means of a simple, heuristic extension of the time-dependent configuration interaction singles (TD-CIS) approach. The extension allows for the treatment of ionizing states as nonstationary states with a finite, energy-dependent lifetime to account for above-threshold ionization losses in laser-driven many-electron dynamics. The extended TD-CIS method is applied to the following specific examples: (i) state-to-state transitions in the LiCN molecule which correspond to intramolecular charge transfer, (ii) creation of electronic wave packets in LiCN including wave packet analysis by pump-probe spectroscopy, and, finally, (iii) the effect of ionization on the dynamic polarizability of H(2) when calculated nonperturbatively by TD-CIS.

  15. Electron correlation effects in enhanced-ionization of molecules:A time-dependent generalized-active-space configuration-interaction study

    CERN Document Server

    Chattopadhyay, S; Madsen, L B

    2015-01-01

    We numerically study models of $\\mathrm{H}_2$ and $\\mathrm{LiH}$ molecules, aligned collinearly with the linear polarization of the external field, to elucidate the possible role of correlation in the enhanced-ionization phenomena. Correlation is considered at different levels of approximation with the time-dependent generalized-active-space configuration-interaction method. The results of our studies show that enhanced ionization occurs in multielectron molecules, that correlation is important and they also demonstrate significant deviations between the results of the single-active-electron approximation and more accurate configuration-interaction methods. With the inclusion of correlation we show strong carrier-envelope-phase effects in the enhanced ionization of the asymmetric heteronuclear $\\mathrm{LiH}$-like molecule. The correlated calculation shows an intriguing feature of cross-over in enhanced ionization with two carrier-envelope-phases at critical inter-nuclear separation.

  16. The Computer Code NOVO for the Calculation of Wake Potentials of the Very Short Ultra-relativistic Bunches

    Energy Technology Data Exchange (ETDEWEB)

    Novokhatski, Alexander; /SLAC

    2005-12-01

    The problem of electromagnetic interaction of a beam and accelerator elements is very important for linear colliders, electron-positron factories, and free electron lasers. Precise calculation of wake fields is required for beam dynamics study in these machines. We describe a method which allows computation of wake fields of the very short bunches. Computer code NOVO was developed based on this method. This method is free of unphysical solutions like ''self-acceleration'' of a bunch head, which is common to well known wake field codes. Code NOVO was used for the wake fields study for many accelerator projects all over the world.

  17. Semi-empirical calculations of radiative decay rates in Mo II. A comparison between oscillator strength parametrization and core-polarization-corrected relativistic Hartree-Fock approaches

    Science.gov (United States)

    Bouazza, Safa; Palmeri, Patrick; Quinet, Pascal

    2017-09-01

    We present a semi-empirical determination of Mo II radiative parameters in a wide wavelength range 1716-8789 Å. Our fitting procedure to experimental oscillator strengths available in the literature permits us to provide reliable values for a large number of Mo II lines, predicting previously unmeasured oscillator strengths of lines involving 4d45p and 4d35s5p odd-parity configurations. The extracted transition radial integral values are compared with ab-initio calculations: on average they are 0.88 times the values obtained with the basic pseudo-relativistic Hartree Fock method and they agree well when core polarization effects are included. When making a survey of our present and previous studies and including also those given in the literature we observe as general trends a decreasing of transition radial integral values with filling nd shells of the same principal quantum numbers for ndk(n + 1)s → ndk(n + 1)p transitions.

  18. Flexible configuration-interaction shell-model many-body solver

    Energy Technology Data Exchange (ETDEWEB)

    2017-10-01

    BIGSTICK Is a flexible configuration-Interaction open-source shell-model code for the many-fermion problem In a shell model (occupation representation) framework. BIGSTICK can generate energy spectra, static and transition one-body densities, and expectation values of scalar operators. Using the built-in Lanczos algorithm one can compute transition probabflity distributions and decompose wave functions into components defined by group theory.

  19. Conductivity of a relativistic plasma

    Energy Technology Data Exchange (ETDEWEB)

    Braams, B.J.; Karney, C.F.F.

    1989-03-01

    The collision operator for a relativistic plasma is reformulated in terms of an expansion in spherical harmonics. This formulation is used to calculate the electrical conductivity. 13 refs., 1 fig., 1 tab.

  20. Theoretical study of the low-lying excited states of {beta}-carotene isomers by a multireference configuration interaction method

    Energy Technology Data Exchange (ETDEWEB)

    Ceron-Carrasco, Jose P., E-mail: jpceron@um.es [Departamento de Quimica Fisica, Universidad de Murcia, Campus de Espinardo, 30100 Murcia (Spain); Requena, Alberto, E-mail: rqna@um.es [Departamento de Quimica Fisica, Universidad de Murcia, Campus de Espinardo, 30100 Murcia (Spain); Marian, Christel M., E-mail: Christel.Marian@uni-duesseldorf.de [Institute of Theoretical and Computational Chemistry, Heinrich-Heine-University, Duesseldorf, Universitaetsstr. 1, D-40225 Duesseldorf (Germany)

    2010-07-19

    Graphical abstract: Quantum chemical calculations reveal a linear correlation between the intensity of the cis-band and the shape of {beta}-carotene isomers. - Abstract: The combined density functional theory and multireference configuration interaction method (DFT/MRCI) has been employed to explore the ground and low-lying electronically excited states of various {beta}-carotene monocis and dicis isomers. Although the excitation energies are generally somewhat underestimated by DFT/MRCI, the experimental trends are well reproduced and allow an interpretation of the main bands of the UV-Vis spectra. The optically bright signal is correctly assigned to S{sub 0}{yields}S{sub 2}, corresponding to the HOMO {yields} LUMO transition, whereas the so-called cis-band originates mainly from the S{sub 0}{yields}S{sub 4} transition and arises from HOMO-1 {yields} LUMO and HOMO {yields} LUMO+1 excitations. The calculations reveal a correlation between the oscillator strengths of these transitions and the C6-C6' distance thus explaining the effect of the molecular configuration on the shape of the UV-Vis spectra.

  1. Relativistic diffusion.

    Science.gov (United States)

    Haba, Z

    2009-02-01

    We discuss relativistic diffusion in proper time in the approach of Schay (Ph.D. thesis, Princeton University, Princeton, NJ, 1961) and Dudley [Ark. Mat. 6, 241 (1965)]. We derive (Langevin) stochastic differential equations in various coordinates. We show that in some coordinates the stochastic differential equations become linear. We obtain momentum probability distribution in an explicit form. We discuss a relativistic particle diffusing in an external electromagnetic field. We solve the Langevin equations in the case of parallel electric and magnetic fields. We derive a kinetic equation for the evolution of the probability distribution. We discuss drag terms leading to an equilibrium distribution. The relativistic analog of the Ornstein-Uhlenbeck process is not unique. We show that if the drag comes from a diffusion approximation to the master equation then its form is strongly restricted. The drag leading to the Tsallis equilibrium distribution satisfies this restriction whereas the one of the Jüttner distribution does not. We show that any function of the relativistic energy can be the equilibrium distribution for a particle in a static electric field. A preliminary study of the time evolution with friction is presented. It is shown that the problem is equivalent to quantum mechanics of a particle moving on a hyperboloid with a potential determined by the drag. A relation to diffusions appearing in heavy ion collisions is briefly discussed.

  2. Relativistic astrophysics

    CERN Document Server

    Price, R H

    1993-01-01

    Work reported in the workshop on relativistic astrophysics spanned a wide varicy of topics. Two specific areas seemed of particular interest. Much attention was focussed on gravitational wave sources, especially on the waveforms they produce, and progress was reported in theoretical and observational aspects of accretion disks.

  3. Relativistic Kinematics

    OpenAIRE

    Sahoo, Raghunath

    2016-01-01

    This lecture note covers Relativistic Kinematics, which is very useful for the beginners in the field of high-energy physics. A very practical approach has been taken, which answers "why and how" of the kinematics useful for students working in the related areas.

  4. Deterministic methods for the relativistic Vlasov-Maxwell equations and the Van Allen belts dynamics; Methodes deterministes de resolution des equations de Vlasov-Maxwell relativistes en vue du calcul de la dynamique des ceintures de Van Allen

    Energy Technology Data Exchange (ETDEWEB)

    Le Bourdiec, S

    2007-03-15

    Artificial satellites operate in an hostile radiation environment, the Van Allen radiation belts, which partly condition their reliability and their lifespan. In order to protect them, it is necessary to characterize the dynamics of the energetic electrons trapped in these radiation belts. This dynamics is essentially determined by the interactions between the energetic electrons and the existing electromagnetic waves. This work consisted in designing a numerical scheme to solve the equations modelling these interactions: the relativistic Vlasov-Maxwell system of equations. Our choice was directed towards methods of direct integration. We propose three new spectral methods for the momentum discretization: a Galerkin method and two collocation methods. All of them are based on scaled Hermite functions. The scaling factor is chosen in order to obtain the proper velocity resolution. We present in this thesis the discretization of the one-dimensional Vlasov-Poisson system and the numerical results obtained. Then we study the possible extensions of the methods to the complete relativistic problem. In order to reduce the computing time, parallelization and optimization of the algorithms were carried out. Finally, we present 1Dx-3Dv (mono-dimensional for x and three-dimensional for velocity) computations of Weibel and whistler instabilities with one or two electrons species. (author)

  5. Fundamental vibrational transitions of the H3eH4e+ and L7iH+ ions calculated without assuming the Born-Oppenheimer approximation and with including leading relativistic corrections

    Science.gov (United States)

    Stanke, Monica; Bubin, Sergiy; Adamowicz, Ludwik

    2009-06-01

    Very accurate variational calculations of the fundamental pure vibrational transitions of the H3eH4e+ and L7iH+ ions are performed within the framework that does not assume the Born-Oppenheimer (BO) approximation. The non-BO wave functions expanded in terms of one-center explicitly correlated Gaussian functions multiplied by even powers of the internuclear distance are used to calculate the leading relativistic corrections. Up to 10000 Gaussian functions are used for each state. It is shown that the experimental H3eH4e+ fundamental transitions is reproduced within 0.06cm-1 by the calculations. A similar precision is expected for the calculated, but still unmeasured, fundamental transition of L7iH+ . Thus, three-electron diatomic systems are calculated with a similar accuracy as two-electron systems.

  6. Analytic derivative couplings between configuration-interaction-singles states with built-in electron-translation factors for translational invariance

    Science.gov (United States)

    Fatehi, Shervin; Alguire, Ethan; Shao, Yihan; Subotnik, Joseph E.

    2011-12-01

    We present a method for analytically calculating the derivative couplings between a pair of configuration-interaction-singles (CIS) excited states obtained in an atom-centered basis. Our theory is exact and has been derived using two completely independent approaches: one inspired by the Hellmann-Feynman theorem and the other following from direct differentiation. (The former is new, while the latter is in the spirit of existing approaches in the literature.) Our expression for the derivative couplings incorporates all Pulay effects associated with the use of an atom-centered basis, and the computational cost is minimal, roughly comparable to that of a single CIS energy gradient. We have validated our method against CIS finite-difference results and have applied it to the lowest lying excited states of naphthalene; we find that naphthalene derivative couplings include Pulay contributions sufficient to have a qualitative effect. Going beyond standard problems in analytic gradient theory, we have also constructed a correction, based on perturbative electron-translation factors, for including electronic momentum and eliminating spurious components of the derivative couplings that break translational symmetry. This correction is general and can be applied to any level of electronic structure theory.

  7. Gravitation relativiste

    CERN Document Server

    Hakim, Rémi

    1994-01-01

    Il existe à l'heure actuelle un certain nombre de théories relativistes de la gravitation compatibles avec l'expérience et l'observation. Toutefois, la relativité générale d'Einstein fut historiquement la première à fournir des résultats théoriques corrects en accord précis avec les faits.

  8. Cluster decomposition of full configuration interaction wave functions: A tool for chemical interpretation of systems with strong correlation

    Science.gov (United States)

    Lehtola, Susi; Tubman, Norm M.; Whaley, K. Birgitta; Head-Gordon, Martin

    2017-10-01

    Approximate full configuration interaction (FCI) calculations have recently become tractable for systems of unforeseen size, thanks to stochastic and adaptive approximations to the exponentially scaling FCI problem. The result of an FCI calculation is a weighted set of electronic configurations, which can also be expressed in terms of excitations from a reference configuration. The excitation amplitudes contain information on the complexity of the electronic wave function, but this information is contaminated by contributions from disconnected excitations, i.e., those excitations that are just products of independent lower-level excitations. The unwanted contributions can be removed via a cluster decomposition procedure, making it possible to examine the importance of connected excitations in complicated multireference molecules which are outside the reach of conventional algorithms. We present an implementation of the cluster decomposition analysis and apply it to both true FCI wave functions, as well as wave functions generated from the adaptive sampling CI algorithm. The cluster decomposition is useful for interpreting calculations in chemical studies, as a diagnostic for the convergence of various excitation manifolds, as well as as a guidepost for polynomially scaling electronic structure models. Applications are presented for (i) the double dissociation of water, (ii) the carbon dimer, (iii) the π space of polyacenes, and (iv) the chromium dimer. While the cluster amplitudes exhibit rapid decay with an increasing rank for the first three systems, even connected octuple excitations still appear important in Cr2, suggesting that spin-restricted single-reference coupled-cluster approaches may not be tractable for some problems in transition metal chemistry.

  9. Excitation variance matching with limited configuration interaction expansions in variational Monte Carlo

    Science.gov (United States)

    Robinson, Paul J.; Pineda Flores, Sergio D.; Neuscamman, Eric

    2017-10-01

    In the regime where traditional approaches to electronic structure cannot afford to achieve accurate energy differences via exhaustive wave function flexibility, rigorous approaches to balancing different states' accuracies become desirable. As a direct measure of a wave function's accuracy, the energy variance offers one route to achieving such a balance. Here, we develop and test a variance matching approach for predicting excitation energies within the context of variational Monte Carlo and selective configuration interaction. In a series of tests on small but difficult molecules, we demonstrate that the approach is effective at delivering accurate excitation energies when the wave function is far from the exhaustive flexibility limit. Results in C3, where we combine this approach with variational Monte Carlo orbital optimization, are especially encouraging.

  10. The efficient evaluation of configuration interaction analytic energy second derivatives: Application to hydrogen thioperoxide, HSOH

    Science.gov (United States)

    Lee, Timothy J.; Handy, Nicholas C.; Rice, Julia E.; Scheiner, Andrew C.; Schaefer, Henry F., III

    1986-10-01

    We present an efficient reformulation of the analytic configuration interaction (CI) energy second derivative. Specifically, the Z-vector method of Handy and Schaefer is used to avoid solving the second order coupled perturbed Hartree-Fock (CPHF) equations. We have incorporated translational-rotational invariance into the new method. We present a more efficient method for the evaluation of the Y matrix contribution. The procedure which has been implemented can accommodate very large basis sets and CI expansions for any general restricted Hartree-Fock (RHF) reference wave function. As a test case, we apply the new procedure to the HSOH molecule using a double zeta plus polarization basis set. This leads to 50 contracted Gaussian basis functions and 116 403 configurations in the CI expansion. Harmonic vibrational frequencies and infrared intensities are predicted for HSOH and its deuterated isotopomers. The analytic method described herein requires only 56% of the central processor unit time used by a numerical method.

  11. Efficient evaluation of configuration interaction analytic energy second derivatives: Application to hydrogen thioperoxide, HSOH

    Energy Technology Data Exchange (ETDEWEB)

    Lee, T.J.; Handy, N.C.; Rice, J.E.; Scheiner, A.C.; Schaefer H.F. III

    1986-10-01

    We present an efficient reformulation of the analytic configuration interaction (CI) energy second derivative. Specifically, the Z-vector method of Handy and Schaefer is used to avoid solving the second order coupled perturbed Hartree--Fock (CPHF) equations. We have incorporated translational--rotational invariance into the new method. We present a more efficient method for the evaluation of the Y matrix contribution. The procedure which has been implemented can accommodate very large basis sets and CI expansions for any general restricted Hartree--Fock (RHF) reference wave function. As a test case, we apply the new procedure to the HSOH molecule using a double zeta plus polarization basis set. This leads to 50 contracted Gaussian basis functions and 116 403 configurations in the CI expansion. Harmonic vibrational frequencies and infrared intensities are predicted for HSOH and its deuterated isotopomers. The analytic method described herein requires only 56% of the central processor unit time used by a numerical method.

  12. A Deterministic Projector Configuration Interaction Approach for the Ground State of Quantum Many-Body Systems.

    Science.gov (United States)

    Zhang, Tianyuan; Evangelista, Francesco A

    2016-09-13

    In this work we propose a novel approach to solve the Schrödinger equation which combines projection onto the ground state with a path-filtering truncation scheme. The resulting projector configuration interaction (PCI) approach realizes a deterministic version of the full configuration interaction quantum Monte Carlo (FCIQMC) method [Booth, G. H.; Thom, A. J. W.; Alavi, A. J. Chem. Phys. 2009, 131, 054106]. To improve upon the linearized imaginary-time propagator, we develop an optimal projector scheme based on an exponential Chebyshev expansion in the limit of an infinite imaginary time step. After writing the exact projector as a path integral in determinant space, we introduce a path filtering procedure that truncates the size of the determinantal basis and approximates the Hamiltonian. The path filtering procedure is controlled by one real threshold that determines the accuracy of the PCI energy and is not biased toward any determinant. Therefore, the PCI approach can equally well describe static and dynamic electron correlation effects. This point is illustrated in benchmark computations on N2 at both equilibrium and stretched geometries. In both cases, the PCI achieves chemical accuracy with wave functions that contain less than 0.5% determinants of full CI space. We also report computations on the ground state of C2 with up to quaduple-ζ basis sets and wave functions as large as 200 million determinants, which allow a direct comparison of the PCI, FCIQMC, and density matrix renormalization group (DMRG) methods. The size of the PCI wave function grows modestly with the number of unoccupied orbitals, and its accuracy may be tuned to match that of FCIQMC and DMRG.

  13. Relativistic corrections to molecular dynamic dipole polarizabilities

    DEFF Research Database (Denmark)

    Kirpekar, Sheela; Oddershede, Jens; Jensen, Hans Jørgen Aagaard

    1995-01-01

    Using response function methods we report calculations of the dynamic isotropic polarizability of SnH4 and PbH4 and of the relativistic corrections to it in the random phase approximation and at the correlated multiconfigurational linear response level of approximation. All relativistic correctio...

  14. Electronic spectra of azaindole and its excited state mixing: A symmetry-adapted cluster configuration interaction study

    Energy Technology Data Exchange (ETDEWEB)

    Arulmozhiraja, Sundaram, E-mail: raja@cat.hokudai.ac.jp; Coote, Michelle L. [ARC Centre of Excellence for Electromaterials Science, Research School of Chemistry, The Australian National University, Canberra, 2601 ACT (Australia); Hasegawa, Jun-ya [Institute for Catalysis, Hokkaido University, Kita 21, Nishi 10, Kita-Ku, Sapporo 001-0021 (Japan)

    2015-11-28

    Electronic structures of azaindole were studied using symmetry-adapted cluster configuration interaction theory utilizing Dunning’s cc-pVTZ basis set augmented with appropriate Rydberg spd functions on carbon and nitrogen atoms. The results obtained in the present study show good agreement with the available experimental values. Importantly, and contrary to previous theoretical studies, the excitation energy calculated for the important n–π{sup ∗} state agrees well with the experimental value. A recent study by Pratt and co-workers concluded that significant mixing of π-π{sup ∗} and n-π{sup ∗} states leads to major change in the magnitude and direction of the dipole moment of the upper state vibrational level in the 0,0 + 280 cm{sup −1} band in the S{sub 1}←S{sub 0} transition when compared to that of the zero-point level of the S{sub 1} state. The present study, however, shows that all the four lowest lying excited states, {sup 1}L{sub b} π-π{sup ∗}, {sup 1}L{sub a} π-π{sup ∗}, n-π{sup ∗}, and π-σ{sup ∗}, cross each other in one way or another, and hence, significant state mixing between them is likely. The upper state vibrational level in the 0,0 + 280 cm{sup −1} band in the S{sub 1}←S{sub 0} transition benefits from this four-state mixing and this can explain the change in magnitude and direction of the dipole moment of the S{sub 1} excited vibrational level. This multistate mixing, and especially the involvement of π-σ{sup ∗} state in mixing, could also provide a route for hydrogen atom detachment reactions. The electronic spectra of benzimidazole, a closely related system, were also investigated in the present study.

  15. Exponentially more precise quantum simulation of fermions in the configuration interaction representation

    Science.gov (United States)

    Babbush, Ryan; Berry, Dominic W.; Sanders, Yuval R.; Kivlichan, Ian D.; Scherer, Artur; Wei, Annie Y.; Love, Peter J.; Aspuru-Guzik, Alán

    2018-01-01

    We present a quantum algorithm for the simulation of molecular systems that is asymptotically more efficient than all previous algorithms in the literature in terms of the main problem parameters. As in Babbush et al (2016 New Journal of Physics 18, 033032), we employ a recently developed technique for simulating Hamiltonian evolution using a truncated Taylor series to obtain logarithmic scaling with the inverse of the desired precision. The algorithm of this paper involves simulation under an oracle for the sparse, first-quantized representation of the molecular Hamiltonian known as the configuration interaction (CI) matrix. We construct and query the CI matrix oracle to allow for on-the-fly computation of molecular integrals in a way that is exponentially more efficient than classical numerical methods. Whereas second-quantized representations of the wavefunction require \\widetilde{{ O }}(N) qubits, where N is the number of single-particle spin-orbitals, the CI matrix representation requires \\widetilde{{ O }}(η ) qubits, where η \\ll N is the number of electrons in the molecule of interest. We show that the gate count of our algorithm scales at most as \\widetilde{{ O }}({η }2{N}3t).

  16. Parallel implementation and performance optimization of the configuration-interaction method

    Energy Technology Data Exchange (ETDEWEB)

    Shan, H; Williams, S; Johnson, C; McElvain, K; Ormand, WE

    2015-11-20

    The configuration-interaction (CI) method, long a popular approach to describe quantum many-body systems, is cast as a very large sparse matrix eigenpair problem with matrices whose dimension can exceed one billion. Such formulations place high demands on memory capacity and memory bandwidth - - two quantities at a premium today. In this paper, we describe an efficient, scalable implementation, BIGSTICK, which, by factorizing both the basis and the interaction into two levels, can reconstruct the nonzero matrix elements on the fly, reduce the memory requirements by one or two orders of magnitude, and enable researchers to trade reduced resources for increased computational time. We optimize BIGSTICK on two leading HPC platforms - - the Cray XC30 and the IBM Blue Gene/Q. Specifically, we not only develop an empirically-driven load balancing strategy that can evenly distribute the matrix-vector multiplication across 256K threads, we also developed techniques that improve the performance of the Lanczos reorthogonalization. Combined, these optimizations improved performance by 1.3-8× depending on platform and configuration.

  17. A second-quantized red herring in full configuration-interaction Monte Carlo

    CERN Document Server

    Kolodrubetz, Michael

    2012-01-01

    Full configuration-interaction quantum Monte Carlo (FCI-QMC) is a Monte Carlo method that allows for exact solution of the ground state of fermionic Hamiltonians (albeit at exponential cost). FCI-QMC involves stochastic projection to the ground state, working in a basis of second- quantized determinants. While a Fermi sign problem still exists within FCI-QMC, it has been suggested that even without annihilation the sign problem is fundamentally distinct from that of more standard techniques such as diffusion Monte Carlo, as a result of working in determinant space. Furthermore, it is widely believed that this distinction is at least partially responsible for the success of FCI-QMC in mitigating the sign problem. In this paper, we show that second quantization is a red herring; the sign problem of FCI-QMC comes from the conventional instability to a bosonic ground state, and in fact FCI-QMC without annihilation can be equated step-by-step to a first-quantized algorithm where anti-symmetry comes only from initi...

  18. Charge transfer dynamics from adsorbates to surfaces with single active electron and configuration interaction based approaches

    Energy Technology Data Exchange (ETDEWEB)

    Ramakrishnan, Raghunathan, E-mail: r.ramakrishnan@unibas.ch [Institute of Physical Chemistry, National Center for Computational Design and Discovery of Novel Materials (MARVEL), Department of Chemistry, University of Basel, Klingelbergstrasse 80, CH-4056 Basel (Switzerland); Nest, Mathias [Theoretische Chemie, Technische Universität München, Lichtenbergstr. 4, 85747 Garching (Germany)

    2015-01-13

    Highlights: • We model electron dynamics across cyano alkanethiolates attached to gold cluster. • We present electron transfer time scales from TD-DFT and TD-CI based simulations. • Both DFT and CI methods qualitatively predict the trend in time scales. • TD-CI predicts the experimental relative time scale very accurately. - Abstract: We employ wavepacket simulations based on many-body time-dependent configuration interaction (TD-CI), and single active electron theories, to predict the ultrafast molecule/metal electron transfer time scales, in cyano alkanethiolates bonded to model gold clusters. The initial states represent two excited states where a valence electron is promoted to one of the two virtual π{sup ∗} molecular orbitals localized on the cyanide fragment. The ratio of the two time scales indicate the efficiency of one charge transfer channel over the other. In both our one-and many-electron simulations, this ratio agree qualitatively with each other as well as with the previously reported experimental time scales (Blobner et al., 2012), measured for a macroscopic metal surface. We study the effect of cluster size and the description of electron correlation on the charge transfer process.

  19. Relativistic magnetohydrodynamics

    Science.gov (United States)

    Hernandez, Juan; Kovtun, Pavel

    2017-05-01

    We present the equations of relativistic hydrodynamics coupled to dynamical electromagnetic fields, including the effects of polarization, electric fields, and the derivative expansion. We enumerate the transport coefficients at leading order in derivatives, including electrical conductivities, viscosities, and thermodynamic coefficients. We find the constraints on transport coefficients due to the positivity of entropy production, and derive the corresponding Kubo formulas. For the neutral state in a magnetic field, small fluctuations include Alfvén waves, magnetosonic waves, and the dissipative modes. For the state with a non-zero dynamical charge density in a magnetic field, plasma oscillations gap out all propagating modes, except for Alfvén-like waves with a quadratic dispersion relation. We relate the transport coefficients in the "conventional" magnetohydrodynamics (formulated using Maxwell's equations in matter) to those in the "dual" version of magnetohydrodynamics (formulated using the conserved magnetic flux).

  20. Relativistic Achilles

    CERN Document Server

    Leardini, Fabrice

    2013-01-01

    This manuscript presents a problem on special relativity theory (SRT) which embodies an apparent paradox relying on the concept of simultaneity. The problem is represented in the framework of Greek epic poetry and structured in a didactic way. Owing to the characteristic properties of Lorenz transformations, three events which are simultaneous in a given inertial reference system, occur at different times in the other two reference frames. In contrast to the famous twin paradox, in the present case there are three, not two, different inertial observers. This feature provides a better framework to expose some of the main characteristics of SRT, in particular, the concept of velocity and the relativistic rule of addition of velocities.

  1. Scaled Second Order Perturbation Corrections to Configuration Interaction Singles: Efficient and Reliable Excitation Energy Methods

    Energy Technology Data Exchange (ETDEWEB)

    Rhee, Young Min; Head-Gordon, Martin

    2007-02-01

    Two modifications of the perturbative doubles correction to configuration interaction with single substitutions (CIS(D)) are suggested, which are excited state analogs of ground state scaled second order Moeller-Plesset (MP2) methods. The first approach employs two parameters to scale the two spin components of the direct term of CIS(D), starting from the two-parameter spin-component scaled (SCS) MP2 ground state, and is termed SCS-CIS(D). An efficient resolution-of-the-identity (RI) implementation of this approach is described. The second approach employs a single parameter to scale only the opposite-spin direct term of CIS(D), starting from the one-parameter scaled opposite spin (SOS) MP2 ground state, and is called SOS-CIS(D). By utilizing auxiliary basis expansions and a Laplace transform, a fourth order algorithm for SOS-CIS(D) is described and implemented. The parameters describing SCS-CIS(D) and SOS-CIS(D) are optimized based on a training set including valence excitations of various organic molecules and Rydberg transitions of water and ammonia, and they significantly improve upon CIS(D) itself. The accuracy of the two methods is found to be comparable. This arises from a strong correlation between the same-spin and opposite-spin portions of the excitation energy terms. The methods are successfully applied to the zincbacteriochlorin-bacteriochlorin charge transfer transition, for which time-dependent density functional theory, with presently available exchange-correlation functionals, is known to fail. The methods are also successfully applied to describe various electronic transitions outside of the training set. The efficiency of SOS-CIS(D) and the auxiliary basis implementation of CIS(D) and SCS-CIS(D) are confirmed with a series of timing tests.

  2. Nuclear curvature energy in relativistic models

    Energy Technology Data Exchange (ETDEWEB)

    Centelles, M.; Vinas, X. [Departament dEstructura i Constituents de la Materia, Facultat de Fisica, Universitat de Barcelona, Diagonal 647, E-08028 Barcelona (Spain); Schuck, P. [Institut National de Physique Nucleaire et de Physique des Particules, Centre National de la Recherche Scientifique (CNRS--IN2P3), Universite Joseph Fourier, Institut des Sciences Nucleaires, 53 Avenue des Martyrs, F-38026 Grenoble Cedex (France)

    1996-02-01

    The difficulties arising in the calculation of the nuclear curvature energy are analyzed in detail, especially with reference to relativistic models. It is underlined that the implicit dependence on curvature of the quantal wave functions is directly accessible only in a semiclassical framework. It is shown that also in the relativistic models quantal and semiclassical calculations of the curvature energy are in good agreement. {copyright} {ital 1996 The American Physical Society.}

  3. Four-Component Relativistic State-Specific Multireference Perturbation Theory with a Simplified Treatment of Static Correlation.

    Science.gov (United States)

    Ghosh, Anirban; Sinha Ray, Suvonil; Chaudhuri, Rajat K; Chattopadhyay, Sudip

    2017-02-23

    The relativistic multireference (MR) perturbative approach is one of the most successful tools for the description of computationally demanding molecular systems of heavy elements. We present here the ground state dissociation energy surfaces, equilibrium bond lengths, harmonic frequencies, and dissociation energies of Ag2, Cu2, Au2, and I2 computed using the four-component (4c) relativistic spinors based state-specific MR perturbation theory (SSMRPT) with improved virtual orbital complete active space configuration interaction (IVO-CASCI) functions. The IVO-CASCI method is a simple, robust, useful and lower cost alternative to the complete active space self-consistent field approach for treating quasidegenerate situations. The redeeming features of the resulting method, termed as 4c-IVO-SSMRPT, lies in (i) manifestly size-extensivity, (ii) exemption from intruder problems, (iii) the freedom of convenient multipartitionings of the Hamiltonian, (iv) flexibility of the relaxed and unrelaxed descriptions of the reference coefficients, and (v) manageable cost/accuracy ratio. The present method delivers accurate descriptions of dissociation processes of heavy element systems. Close agreement with reference values has been found for the calculated molecular constants indicating that our 4c-IVOSSMRPT provides a robust and economic protocol for determining the structural properties for the ground state of heavy element molecules with eloquent MR character as it treats correlation and relativity on equal footing.

  4. Two-component Kramers restricted complete active space self-consistent field method with relativistic effective core potential revisited: theory, implementation, and applications to spin-orbit splitting of lower p-block atoms.

    Science.gov (United States)

    Kim, Inkoo; Lee, Yoon Sup

    2013-10-07

    The relativistic two-component complete active space self-consistent field theory in Kramers restricted formalism (KRCASSCF) through the framework of the spin-orbit relativistic effective core potential is implemented into the KPACK package. This paper continues the development previously reported [Y. S. Kim and Y. S. Lee, J. Chem. Phys. 119, 12169 (2003)] and extends the theory by means of adding time-reversal symmetry into the relevant expressions so as to complete the course of theoretical development. We retained the usage of elementary spinor excitation operator for defining the spinor rotation operator and derived the gradient and Hessian in simpler forms than previously found. To eliminate redundant computation resulting from repeating sums in the derivatives, a suitable decomposition method is proposed, which also facilitates the implementation. The two-step near second-order approach is employed for convergence. The present implementation is applicable for both closed- and open-shell systems and is used to calculate the atoms of lower p-block. The results for 5p and 6p are in good agreement with the experiments, and those for 7p are comparable to multi-reference configuration interaction results, showing that KRCASSCF is a versatile tool for the relativistic electronic structure calculation of molecules containing moderate-weight through superheavy elements.

  5. Relativistic Fluid Dynamics

    CERN Document Server

    Cattaneo, Carlo

    2011-01-01

    This title includes: Pham Mau Quam: Problemes mathematiques en hydrodynamique relativiste; A. Lichnerowicz: Ondes de choc, ondes infinitesimales et rayons en hydrodynamique et magnetohydrodynamique relativistes; A.H. Taub: Variational principles in general relativity; J. Ehlers: General relativistic kinetic theory of gases; K. Marathe: Abstract Minkowski spaces as fibre bundles; and, G. Boillat: Sur la propagation de la chaleur en relativite.

  6. Holographic Aspects of a Relativistic Nonconformal Theory

    Directory of Open Access Journals (Sweden)

    Chanyong Park

    2013-01-01

    Full Text Available We study a general D-dimensional Schwarzschild-type black brane solution of the Einstein-dilaton theory and derive, by using the holographic renormalization, its thermodynamics consistent with the geometric results. Using the membrane paradigm, we calculate the several hydrodynamic transport coefficients and compare them with the results obtained by the Kubo formula, which shows the self-consistency of the gauge/gravity duality in the relativistic nonconformal theory. In order to understand more about the relativistic non-conformal theory, we further investigate the binding energy, drag force, and holographic entanglement entropy of the relativistic non-conformal theory.

  7. MCDHF Calculations and Beam-Foil EUV Spectra of Boron-Like Sodium Ions (Na VII

    Directory of Open Access Journals (Sweden)

    Per Jönsson

    2015-06-01

    Full Text Available Atomic data, such as wavelengths and line identifications, are necessary for many applications, especially in plasma diagnostics and for interpreting the spectra of distant astrophysical objects. The number of valence shell electrons increases the complexity of the computational problem. We have selected a five-electron ion, Na6+ (with the boron-like spectrum Na VII, for looking into the interplay of measurement and calculation. We summarize the available experimental work, perform our own extensive relativistic configuration interaction (RCI computations based on multi-configuration Dirac–Hartree–Fock (MCDHF wave functions, and compare the results to what is known of the level structure. We then discuss problems with databases that have begun to combine observations and computations.

  8. Galilean relativistic fluid mechanics

    CERN Document Server

    Ván, Péter

    2015-01-01

    Single component Galilean-relativistic (nonrelativistic) fluids are treated independently of reference frames. The basic fields are given, their balances, thermodynamic relations and the entropy production is calculated. The usual relative basic fields, the mass, momentum and energy densities, the diffusion current density, the pressure tensor and the heat flux are the time- and spacelike components of the third order mass-momentum-energy density tensor according to a velocity field. The transformation rules of the basic fields are derived and prove that the non-equilibrium thermodynamic background theory, that is the Gibbs relation, extensivity condition and the entropy production is absolute, that is independent of the reference frame and also of the fluid velocity. --- Az egykomponensu Galilei-relativisztikus (azaz nemrelativisztikus) disszipativ folyadekokat vonatkoztatasi rendszertol fuggetlenul targyaljuk. Megadjuk az alapmennyisegeket, ezek merlegeit, a termodinamikai osszefuggeseket es kiszamoljuk az ...

  9. Gaussian basis sets for use in correlated molecular calculations. XI. Pseudopotential-based and all-electron relativistic basis sets for alkali metal (K-Fr) and alkaline earth (Ca-Ra) elements.

    Science.gov (United States)

    Hill, J Grant; Peterson, Kirk A

    2017-12-28

    New correlation consistent basis sets based on pseudopotential (PP) Hamiltonians have been developed from double- to quintuple-zeta quality for the late alkali (K-Fr) and alkaline earth (Ca-Ra) metals. These are accompanied by new all-electron basis sets of double- to quadruple-zeta quality that have been contracted for use with both Douglas-Kroll-Hess (DKH) and eXact 2-Component (X2C) scalar relativistic Hamiltonians. Sets for valence correlation (ms), cc-pVnZ-PP and cc-pVnZ-(DK,DK3/X2C), in addition to outer-core correlation [valence + (m-1)sp], cc-p(w)CVnZ-PP and cc-pwCVnZ-(DK,DK3/X2C), are reported. The -PP sets have been developed for use with small-core PPs [I. S. Lim et al., J. Chem. Phys. 122, 104103 (2005) and I. S. Lim et al., J. Chem. Phys. 124, 034107 (2006)], while the all-electron sets utilized second-order DKH Hamiltonians for 4s and 5s elements and third-order DKH for 6s and 7s. The accuracy of the basis sets is assessed through benchmark calculations at the coupled-cluster level of theory for both atomic and molecular properties. Not surprisingly, it is found that outer-core correlation is vital for accurate calculation of the thermodynamic and spectroscopic properties of diatomic molecules containing these elements.

  10. Mass spectrum bound state systems with relativistic corrections

    Energy Technology Data Exchange (ETDEWEB)

    Dineykhan, M; Zhaugasheva, S A [Bogoliubov Laboratory of Theoretical Physics, Joint Institute for Nuclear Research, Dubna (Russian Federation); Toinbaeva, N Sh; Jakhanshir, A [al-Farabi Kazak National University, 480012 Almaty (Kazakhstan)

    2009-07-28

    Based on the investigation of the asymptotic behaviour of the polarization loop function for charged n scalar particles in an external gauge field, we determine the interaction Hamiltonian including relativistic corrections. The mass spectrum of the bound state is analytically derived. The mechanism for arising of the constituent mass of the relativistic bound-state forming particles is explained. The mass and the constituent mass of the two-, three- and n-body relativistic bound states are calculated taking into account relativistic corrections. The corrections arising due to the one- and two-loop electron polarization to the energy spectrum of muonic hydrogen with orbital and radial excitations are calculated.

  11. Relativistic Linear Restoring Force

    Science.gov (United States)

    Clark, D.; Franklin, J.; Mann, N.

    2012-01-01

    We consider two different forms for a relativistic version of a linear restoring force. The pair comes from taking Hooke's law to be the force appearing on the right-hand side of the relativistic expressions: d"p"/d"t" or d"p"/d["tau"]. Either formulation recovers Hooke's law in the non-relativistic limit. In addition to these two forces, we…

  12. Relativistic Guiding Center Equations

    Energy Technology Data Exchange (ETDEWEB)

    White, R. B. [PPPL; Gobbin, M. [Euratom-ENEA Association

    2014-10-01

    In toroidal fusion devices it is relatively easy that electrons achieve relativistic velocities, so to simulate runaway electrons and other high energy phenomena a nonrelativistic guiding center formalism is not sufficient. Relativistic guiding center equations including flute mode time dependent field perturbations are derived. The same variables as used in a previous nonrelativistic guiding center code are adopted, so that a straightforward modifications of those equations can produce a relativistic version.

  13. Size-extensivity-corrected multireference configuration interaction schemes to accurately predict bond dissociation energies of oxygenated hydrocarbons.

    Science.gov (United States)

    Oyeyemi, Victor B; Krisiloff, David B; Keith, John A; Libisch, Florian; Pavone, Michele; Carter, Emily A

    2014-01-28

    Oxygenated hydrocarbons play important roles in combustion science as renewable fuels and additives, but many details about their combustion chemistry remain poorly understood. Although many methods exist for computing accurate electronic energies of molecules at equilibrium geometries, a consistent description of entire combustion reaction potential energy surfaces (PESs) requires multireference correlated wavefunction theories. Here we use bond dissociation energies (BDEs) as a foundational metric to benchmark methods based on multireference configuration interaction (MRCI) for several classes of oxygenated compounds (alcohols, aldehydes, carboxylic acids, and methyl esters). We compare results from multireference singles and doubles configuration interaction to those utilizing a posteriori and a priori size-extensivity corrections, benchmarked against experiment and coupled cluster theory. We demonstrate that size-extensivity corrections are necessary for chemically accurate BDE predictions even in relatively small molecules and furnish examples of unphysical BDE predictions resulting from using too-small orbital active spaces. We also outline the specific challenges in using MRCI methods for carbonyl-containing compounds. The resulting complete basis set extrapolated, size-extensivity-corrected MRCI scheme produces BDEs generally accurate to within 1 kcal/mol, laying the foundation for this scheme's use on larger molecules and for more complex regions of combustion PESs.

  14. Assignment of the 6,6'-dioxo-3,3'-biverdazyl ground state by using broken symmetry and spectroscopy oriented configuration interaction techniques.

    Science.gov (United States)

    Mattar, Saba M; Dokainish, Hisham M

    2010-02-04

    The singlet-triplet energy differences (DeltaE(ST)) and the Heisenberg-Dirac-van-Vleck exchange parameter (J) of 6,6'-dioxo-3,3'-biverdazyl (BVD) have been studied by hybrid density functional (HDF), broken symmetry (BS), and spectroscopy oriented configuration interaction (SORCI) methods. Energy surface scans as a function of the dihedral angle between the two verdazyl rings (phi(N2C3C3'N2')) have been performed. The BS computations predict an antiferromagnetic ground state. However, the diradical index (R(BS)) ranges from 97.5 to 99.9%, implying that the interactions between the two unpaired electrons are very weak. To calculate J and DeltaE(ST), the multireference character introduced by these weak spin-spin interactions must be taken into account. Consequently, multireference difference dedicated configuration interaction (MRDDCI) methods, as implemented in the SORCI procedure, are used. The in-plane pi (IPpi), out-of-plane pi (OPpi), and sigma configurations are included in the CI expansions in a balanced fashion. The OPpi-OPpi and OPpi-IPpi overlaps are the predominant factors that influence the J and DeltaE(ST) as a function of phi(N2C3C3'N2') and cause them to peak around 40 and 140 degrees. In these regions, the antiferromagnetic interactions are minimal, and the MRDDCI methods predict a triplet ground state. At phi(N2C3C3'N2') = 0, DeltaE(ST)[MRDDCI3(14,12)] is in excellent agreement with that of 1,1',5,5'-tetramethyl-6,6'-dioxo-3,3'-biverdazyl determined experimentally from electron paramagnetic resonance (EPR) spectroscopy and differs only by 2.3%. Furthermore, DeltaE(ST)[MRDDCI3(14,12)] is consistently smaller than J(Y) as the verdazyl rings rotate with respect to each other. This corroborates the theory that the HDF-BS technique increases the singlet-triplet energy gap and favors the singlet state. Because the SORCI method is specifically designed for large molecules, the present very good results open the way for the computation of the magnetic

  15. A spectroscopic investigation of Y3Al5O12:Pr3 + in translucent ceramic form: Crystal field analysis assisted by configuration-interaction

    Science.gov (United States)

    Moune, O. K.; Rabinovitch, Y.; Tétard, D.; Pham-Thi, M.; Lallier, E.; Faucher, M. D.

    2002-06-01

    This paper presents an investigation of Pr^{3+} doped in the D2 site of Y3Al5O{12} (YAG), for the first time on a translucent ceramic sample free of spurious phases, impurity or pair sites. The optical study is carried out by optical absorption, excitation, and emission by selective excitation into ^1D2 and ^3P0, at different temperatures between 20 K and 60 K, in the 4 300 23 000 cm^{-1} range. A detailed account of the line assignments is given. 67 over 91 levels of the 4f^2 configuration are determined. Several crystal field calculations within the ground configuration 4f^2 and the larger matrix 4f^2+4f6p are carried out. The energy level fit is slightly improved by configuration interaction. The ^3P2 and ^1I6 levels are strongly mixed together by the large 6th order crystal field parameters. In sintered samples with different Pr^{3+} concentrations, satellite lines with intensities increasing quadratically with the concentration are observed. A few weak lines forbidden in D2 site symmetry are observed.

  16. Convergence of Breit-Pauli spin-orbit matrix elements with basis set size and configuration interaction space: The halogen atoms F, Cl, and Br

    Energy Technology Data Exchange (ETDEWEB)

    Nicklass, Andreas [Department of Chemistry, Washington State University and the Environmental Molecular Sciences Laboratory, Pacific Northwest National Laboratory, Richland, Washington 99352 (United States); Peterson, Kirk A. [Department of Chemistry, Washington State University and the Environmental Molecular Sciences Laboratory, Pacific Northwest National Laboratory, Richland, Washington 99352 (United States); Berning, Andreas [Institut fuer Theoretische Chemie, Universitaet Stuttgart, 70550 Stuttgart, (Germany); Werner, Hans-Joachim [Institut fuer Theoretische Chemie, Universitaet Stuttgart, 70550 Stuttgart, (Germany); Knowles, Peter J. [School of Chemistry, University of Birmingham, Edgbaston, Birmingham B15 2TT, (United Kingdom)

    2000-04-01

    Systematic sequences of basis sets are used to calculate the spin-orbit splittings of the halogen atoms F, Cl, and Br in the framework of first-order perturbation theory with the Breit-Pauli operator and internally contracted configuration interaction wave functions. The effects of both higher angular momentum functions and the presence of tight functions are studied. By systematically converging the one-particle basis set, an unambiguous evaluation of the effects of correlating different numbers of electrons in the Cl treatment is carried out. Correlation of the 2p-electrons in chlorine increases the spin-orbit splitting by {approx}80 cm-1, while in bromine we observe incremental increases of 130, 145, and 93 cm-1, when adding the 3d, 3p, and 2p electrons to the set of explicitly correlated electrons, respectively. For fluorine and chlorine the final basis set limit, all-electrons correlated results match the experimentally observed spin-orbit splittings to within {approx}5 cm-1, while for bromine the Breit-Pauli operator underestimates the splitting by about 100 cm-1. More extensive treatment of electron correlation results in only a slight lowering of the spin-orbit matrix elements. Thus, the discrepancy for bromine is proposed to arise from the nonrelativistic character of the underlying wave function. (c) 2000 American Institute of Physics.

  17. Configuration Interaction-Corrected Tamm-Dancoff Approximation: A Time-Dependent Density Functional Method with the Correct Dimensionality of Conical Intersections.

    Science.gov (United States)

    Li, Shaohong L; Marenich, Aleksandr V; Xu, Xuefei; Truhlar, Donald G

    2014-01-16

    Linear response (LR) Kohn-Sham (KS) time-dependent density functional theory (TDDFT), or KS-LR, has been widely used to study electronically excited states of molecules and is the method of choice for large and complex systems. The Tamm-Dancoff approximation to TDDFT (TDDFT-TDA or KS-TDA) gives results similar to KS-LR and alleviates the instability problem of TDDFT near state intersections. However, KS-LR and KS-TDA share a debilitating feature; conical intersections of the reference state and a response state occur in F - 1 instead of the correct F - 2 dimensions, where F is the number of internal degrees of freedom. Here, we propose a new method, named the configuration interaction-corrected Tamm-Dancoff approximation (CIC-TDA), that eliminates this problem. It calculates the coupling between the reference state and an intersecting response state by interpreting the KS reference-state Slater determinant and linear response as if they were wave functions. Both formal analysis and test results show that CIC-TDA gives similar results to KS-TDA far from a conical intersection, but the intersection occurs with the correct dimensionality. We anticipate that this will allow more realistic application of TDDFT to photochemistry.

  18. Towards relativistic quantum geometry

    Directory of Open Access Journals (Sweden)

    Luis Santiago Ridao

    2015-12-01

    Full Text Available We obtain a gauge-invariant relativistic quantum geometry by using a Weylian-like manifold with a geometric scalar field which provides a gauge-invariant relativistic quantum theory in which the algebra of the Weylian-like field depends on observers. An example for a Reissner–Nordström black-hole is studied.

  19. The grasp2K relativistic atomic structure package

    Science.gov (United States)

    Jönsson, P.; He, X.; Froese Fischer, C.; Grant, I. P.

    2007-10-01

    Xeon, 3.06 GHz Operating system: Suse LINUX RAM: 500 MB or more Classification: 2.1 Nature of problem: Prediction of atomic spectra—atomic energy levels, oscillator strengths, and radiative decay rates—using a 'fully relativistic' approach. Solution method: Atomic orbitals are assumed to be four-component spinor eigenstates of the angular momentum operator, j=l+s, and the parity operator Π=βπ. Configuration state functions (CSFs) are linear combinations of Slater determinants of atomic orbitals, and are simultaneous eigenfunctions of the atomic electronic angular momentum operator, J, and the atomic parity operator, P. Approximate atomic state functions (ASFs) are linear combinations of CSFs. A variational functional may be constructed by combining expressions for the energies of one or more ASFs. Average energy level (EAL) functionals are weighted sums of energies of all possible ASFs that may be constructed from a set of CSFs; the number of ASFs is then the same as the number of CSFs. Extended optimal level (EOL) functionals are weighted sums of energies of some subset of ASFs. Radial functions may be determined by numerically solving the multiconfiguration Dirac-Hartree-Fock (MCDHF) equations that define an extremum of the variational functional by the self-consistent-field (SCF) method. Lists of CSFs are generated from a set of reference CSFs and rules for deriving other CSFs from these. Expansion coefficients are obtained using sparse-matrix methods for solving the relativistic configuration interaction (CI) problem. Transition properties for pairs of ASFs are computed from matrix elements of multipole operators of the electromagnetic field. Biorthogonal transformation methods are employed so that all matrix elements between CSFs can be evaluated using Racah algebra. Restrictions: The maximum number of radial orbitals is limited to 120 by the packing algorithm used for 32-bit integers. The maximum size of a multiconfiguration (MC) calculation, as measured

  20. Level density parameter in relativistic models

    Energy Technology Data Exchange (ETDEWEB)

    Centelles, M. (Dept. d' Estructura i Constituents de la Materia, Facultat de Fisica, Univ. de Barcelona (Spain)); Vinas, X. (Dept. d' Estructura i Constituents de la Materia, Facultat de Fisica, Univ. de Barcelona (Spain)); Schuck, P. (Inst. des Sciences Nucleaires, 38 Grenoble (France))

    1994-01-24

    The level density parameter for finite nuclei is studied in the framework of the relativistic mean field theory. Systematic self-consistent calculations are performed in the Thomas-Fermi approximation using [sigma]-[omega] models that include scalar meson self-couplings. For realistic nuclear matter properties, the level density parameter turns out to be in the range of values obtained in non-relativistic calculations with Skyrme interactions, and thus it is smaller than the global trend of the experimental data. The implications for the level density parameter of including vacuum fluctuations and exchange corrections in the mean field theory are also investigated. (orig.)

  1. Modeling the Emission from Turbulent Relativistic Jets in Active ...

    Indian Academy of Sciences (India)

    2016-01-27

    Jan 27, 2016 ... We present a numerical model developed to calculate observed fluxes of relativistic jets in active galactic nuclei. The observed flux of each turbulent eddy is dependent upon its variable Doppler boosting factor, computed as a function of the relativistic sum of the individual eddy and bulk jet velocities, and ...

  2. Modeling the Emission from Turbulent Relativistic Jets in Active ...

    Indian Academy of Sciences (India)

    2014-07-12

    Jul 12, 2014 ... Abstract. We present a numerical model developed to calculate observed fluxes of relativistic jets in active galactic nuclei. The observed flux of each turbulent eddy is dependent upon its variable Doppler boost- ing factor, computed as a function of the relativistic sum of the individual eddy and bulk jet ...

  3. Relativistic versus non-relativistic mean field

    Science.gov (United States)

    Reinhard, Paul-Gerhard

    Three variants of the relativistic mean-field model (RMF) and the nonrelativistic Skyrme-Hartree-Fock model (SHF) are compared. Overall quality, predictive power, and correlations between observables are addressed using statistical analysis on the basis of least squares fits. Appropriate density dependence is a crucial ingredient for good performance of RMF. However, SHF shows still more flexibility particularly in the isovector channel.

  4. Dirac $R$-matrix and Breit-Pauli distorted wave calculations of the electron-impact excitation of W$^{44+}$

    CERN Document Server

    Bluteau, M M; Badnell, N R

    2015-01-01

    With construction of ITER progressing and existing tokamaks carrying out ITER-relevant experiments, accurate fundamental and derived atomic data for numerous ionization stages of tungsten (W) is required to assess the potential effect of this species upon fusion plasmas. The results of fully relativistic, partially radiation damped, Dirac $R$-matrix electron-impact excitation calculations for the W$^{44+}$ ion are presented. These calculations use a configuration interaction and close-coupling expansion that opens-up the 3d-subshell, which does not appear to have been considered before in a collision calculation. As a result, it is possible to investigate the arrays, [3d$^{10}$4s$^2-$3d$^9$4s$^2$4f] and [3d$^{10}$4s$^2-$3d$^9$4s4p4d], which are predicted to contain transitions of diagnostic importance for the soft x-ray region. Our $R$-matrix collision data are compared with previous $R$-matrix results by Ballance and Griffin as well as our own relativistically corrected, Breit-Pauli distorted wave and plane-...

  5. Relativistic Length Agony Continued

    Science.gov (United States)

    Redzic, D. V.

    2014-06-01

    We made an attempt to remedy recent confusing treatments of some basic relativistic concepts and results. Following the argument presented in an earlier paper (Redzic 2008b), we discussed the misconceptions that are recurrent points in the literature devoted to teaching relativity such as: there is no change in the object in Special Relativity, illusory character of relativistic length contraction, stresses and strains induced by Lorentz contraction, and related issues. We gave several examples of the traps of everyday language that lurk in Special Relativity. To remove a possible conceptual and terminological muddle, we made a distinction between the relativistic length reduction and relativistic FitzGerald-Lorentz contraction, corresponding to a passive and an active aspect of length contraction, respectively; we pointed out that both aspects have fundamental dynamical contents. As an illustration of our considerations, we discussed briefly the Dewan-Beran-Bell spaceship paradox and the 'pole in a barn' paradox.

  6. Relativistic Hall effect.

    Science.gov (United States)

    Bliokh, Konstantin Y; Nori, Franco

    2012-03-23

    We consider the relativistic deformation of quantum waves and mechanical bodies carrying intrinsic angular momentum (AM). When observed in a moving reference frame, the centroid of the object undergoes an AM-dependent transverse shift. This is the relativistic analogue of the spin-Hall effect, which occurs in free space without any external fields. Remarkably, the shifts of the geometric and energy centroids differ by a factor of 2, and both centroids are crucial for the Lorentz transformations of the AM tensor. We examine manifestations of the relativistic Hall effect in quantum vortices and mechanical flywheels and also discuss various fundamental aspects of this phenomenon. The perfect agreement of quantum and relativistic approaches allows applications at strikingly different scales, from elementary spinning particles, through classical light, to rotating black holes.

  7. Relativistic GLONASS and geodesy

    Science.gov (United States)

    Mazurova, E. M.; Kopeikin, S. M.; Karpik, A. P.

    2016-12-01

    GNSS technology is playing a major role in applications to civil, industrial and scientific areas. Nowadays, there are two fully functional GNSS: American GPS and Russian GLONASS. Their data processing algorithms have been historically based on the Newtonian theory of space and time with only a few relativistic effects taken into account as small corrections preventing the system from degradation on a fairly long time. Continuously growing accuracy of geodetic measurements and atomic clocks suggests reconsidering the overall approach to the GNSS theoretical model based on the Einstein theory of general relativity. This is essentially more challenging but fundamentally consistent theoretical approach to relativistic space geodesy. In this paper, we overview the basic principles of the relativistic GNSS model and explain the advantages of such a system for GLONASS and other positioning systems. Keywords: relativistic GLONASS, Einstein theory of general relativity.

  8. The relativistic rocket

    Energy Technology Data Exchange (ETDEWEB)

    Antippa, Adel F [Departement de Physique, Universite du Quebec a Trois-Rivieres, Trois-Rivieres, Quebec G9A 5H7 (Canada)

    2009-05-15

    We solve the problem of the relativistic rocket by making use of the relation between Lorentzian and Galilean velocities, as well as the laws of superposition of successive collinear Lorentz boosts in the limit of infinitesimal boosts. The solution is conceptually simple, and technically straightforward, and provides an example of a powerful method that can be applied to a wide range of special relativistic problems of linear acceleration.

  9. Exact Relativistic `Antigravity' Propulsion

    Science.gov (United States)

    Felber, Franklin S.

    2006-01-01

    The Schwarzschild solution is used to find the exact relativistic motion of a payload in the gravitational field of a mass moving with constant velocity. At radial approach or recession speeds faster than 3-1/2 times the speed of light, even a small mass gravitationally repels a payload. At relativistic speeds, a suitable mass can quickly propel a heavy payload from rest nearly to the speed of light with negligible stresses on the payload.

  10. Relativistic viscoelastic fluid mechanics.

    Science.gov (United States)

    Fukuma, Masafumi; Sakatani, Yuho

    2011-08-01

    A detailed study is carried out for the relativistic theory of viscoelasticity which was recently constructed on the basis of Onsager's linear nonequilibrium thermodynamics. After rederiving the theory using a local argument with the entropy current, we show that this theory universally reduces to the standard relativistic Navier-Stokes fluid mechanics in the long time limit. Since effects of elasticity are taken into account, the dynamics at short time scales is modified from that given by the Navier-Stokes equations, so that acausal problems intrinsic to relativistic Navier-Stokes fluids are significantly remedied. We in particular show that the wave equations for the propagation of disturbance around a hydrostatic equilibrium in Minkowski space-time become symmetric hyperbolic for some range of parameters, so that the model is free of acausality problems. This observation suggests that the relativistic viscoelastic model with such parameters can be regarded as a causal completion of relativistic Navier-Stokes fluid mechanics. By adjusting parameters to various values, this theory can treat a wide variety of materials including elastic materials, Maxwell materials, Kelvin-Voigt materials, and (a nonlinearly generalized version of) simplified Israel-Stewart fluids, and thus we expect the theory to be the most universal description of single-component relativistic continuum materials. We also show that the presence of strains and the corresponding change in temperature are naturally unified through the Tolman law in a generally covariant description of continuum mechanics.

  11. Intersystem-crossing and phosphorescence rates in fac-Ir{sup III}(ppy){sub 3}: A theoretical study involving multi-reference configuration interaction wavefunctions

    Energy Technology Data Exchange (ETDEWEB)

    Kleinschmidt, Martin; Marian, Christel M., E-mail: Christel.Marian@hhu.de [Institute of Theoretical and Computational Chemistry, Heinrich-Heine-University Düsseldorf, Universitätsstraße 1, 40225 Düsseldorf (Germany); Wüllen, Christoph van [Fachbereich Chemie and Forschungszentrum OPTIMAS, Technical University of Kaiserslautern, Erwin-Schrödinger-Straße 52, 67663 Kaiserslautern (Germany)

    2015-03-07

    We have employed combined density functional theory and multi-reference configuration interaction methods including spin–orbit coupling (SOC) effects to investigate the photophysics of the green phosphorescent emitter fac-tris-(2-phenylpyridine)iridium (fac-Ir(ppy){sub 3}). A critical evaluation of our quantum chemical approaches shows that a perturbational treatment of SOC is the method of choice for computing the UV/Vis spectrum of this heavy transition metal complex while multi-reference spin–orbit configuration interaction is preferable for calculating the phosphorescence rates. The particular choice of the spin–orbit interaction operator is found to be of minor importance. Intersystem crossing (ISC) rates have been determined by Fourier transformation of the time correlation function of the transition including Dushinsky rotations. In the electronic ground state, fac-Ir(ppy){sub 3} is C{sub 3} symmetric. The calculated UV/Vis spectrum is in excellent agreement with experiment. The effect of SOC is particularly pronounced for the metal-to-ligand charge transfer (MLCT) band in the visible region of the absorption spectrum which does not only extend its spectral onset towards longer wavelengths but also experiences a blue shift of its maximum. Pseudo-Jahn-Teller interaction leads to asymmetric coordinate displacements in the lowest MLCT states. Substantial electronic SOC and a small energy gap make ISC an ultrafast process in fac-Ir(ppy){sub 3}. For the S{sub 1}↝T{sub 1} non-radiative transition, we compute a rate constant of k{sub ISC} = 6.9 × 10{sup 12} s{sup −1} which exceeds the rate constant of radiative decay to the electronic ground state by more than six orders of magnitude, in agreement with the experimental observation of a subpicosecond ISC process and a triplet quantum yield close to unity. As a consequence of the geometric distortion in the T{sub 1} state, the T{sub 1} → S{sub 0} transition densities are localized on one of the

  12. General relativistic tidal heating for Moller pseudotensor

    CERN Document Server

    So, Lau Loi

    2015-01-01

    Thorne elucidated that the relativistic tidal heating is the same as the Newtonian theory. Moreover, Thorne also claimed that the tidal heating is independent of how one localizes gravitational energy and is unambiguously given by a certain formula. Purdue and Favata calculated the tidal heating for different classical pseudotensors including Moller and obtained the results all matched with the Newtonian perspective. After re-examined this Moller pseudotensor, we find that there does not exist any tidal heating value. Thus we claim that the relativistic tidal heating is pseudotensor independent under the condition that if the peusdotensor is a Freud typed superpotential.

  13. Fully Internally Contracted Multireference Configuration Interaction Theory Using Density Matrix Renormalization Group: A Reduced-Scaling Implementation Derived by Computer-Aided Tensor Factorization.

    Science.gov (United States)

    Saitow, Masaaki; Kurashige, Yuki; Yanai, Takeshi

    2015-11-10

    We present an extended implementation of the multireference configuration interaction (MRCI) method combined with the quantum-chemical density matrix renormalization group (DMRG). In the previous study, we introduced the combined theory, referred to as DMRGMRCI, as a method to calculate high-level dynamic electron correlation on top of the DMRG wave function that accounts for active-space (or strong) correlation using a large number of active orbitals. The DMRG-MRCI method is built on the full internal-contraction scheme for the compact reference treatment and on the cumulant approximation for the treatment of the four-particle rank reduced density matrix (4-RDM). The previous implementation achieved the MRCI calculations with the active space (24e,24o), which are deemed the record largest, whereas the inherent Nact 8 × N complexity of computation was found a hindrance to using further large active space. In this study, an extended optimization of the tensor contractions is developed by explicitly incorporating the rank reduction of the decomposed form of the cumulant-approximated 4-RDM into the factorization. It reduces the computational scaling (to Nact7 × N) as well as the cache-miss penalty associated with direct evaluation of complex cumulant reconstruction. The present scheme, however, faces the increased complexity of factorization patterns for optimally implementing the tensor contraction terms involving the decomposed 4-RDM objects. We address this complexity using the enhanced symbolic manipulation computer program for deriving and coding programmable equations. The new DMRG-MRCI implementation is applied to the determination of the stability of the iron(IV)-oxo porphyrin relative to the iron(V) electronic isomer (electromer) using the active space (29e,29o) (including four second d-shell orbitals of iron) with triple-ζ-quality atomic orbital basis sets. The DMRG-cu(4)-MRCI+Q model is shown to favor the triradicaloid iron(IV)-oxo state as the lowest

  14. Relativistic quantum mechanics

    CERN Document Server

    Horwitz, Lawrence P

    2015-01-01

    This book describes a relativistic quantum theory developed by the author starting from the E.C.G. Stueckelberg approach proposed in the early 40s. In this framework a universal invariant evolution parameter (corresponding to the time originally postulated by Newton) is introduced to describe dynamical evolution. This theory is able to provide solutions for some of the fundamental problems encountered in early attempts to construct a relativistic quantum theory. A relativistically covariant construction is given for which particle spins and angular momenta can be combined through the usual rotation group Clebsch-Gordan coefficients. Solutions are defined for both the classical and quantum two body bound state and scattering problems. The recently developed quantum Lax-Phillips theory of semigroup evolution of resonant states is described. The experiment of Lindner and coworkers on interference in time is discussed showing how the property of coherence in time provides a simple understanding of the results. Th...

  15. Relativistic theories of materials

    CERN Document Server

    Bressan, Aldo

    1978-01-01

    The theory of relativity was created in 1905 to solve a problem concerning electromagnetic fields. That solution was reached by means of profound changes in fundamental concepts and ideas that considerably affected the whole of physics. Moreover, when Einstein took gravitation into account, he was forced to develop radical changes also in our space-time concepts (1916). Relativistic works on heat, thermodynamics, and elasticity appeared as early as 1911. However, general theories having a thermodynamic basis, including heat conduction and constitutive equations, did not appear in general relativity until about 1955 for fluids and appeared only after 1960 for elastic or more general finitely deformed materials. These theories dealt with materials with memory, and in this connection some relativistic versions of the principle of material indifference were considered. Even more recently, relativistic theories incorporating finite deformations for polarizable and magnetizable materials and those in which couple s...

  16. Handbook of relativistic quantum chemistry

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Wenjian (ed.) [Peking Univ., Beijing (China). Center for Computational Science and Engineering

    2017-03-01

    This handbook focuses on the foundations of relativistic quantum mechanics and addresses a number of fundamental issues never covered before in a book. For instance: How can many-body theory be combined with quantum electrodynamics? How can quantum electrodynamics be interfaced with relativistic quantum chemistry? What is the most appropriate relativistic many-electron Hamiltonian? How can we achieve relativistic explicit correlation? How can we formulate relativistic properties? - just to name a few. Since relativistic quantum chemistry is an integral component of computational chemistry, this handbook also supplements the ''Handbook of Computational Chemistry''. Generally speaking, it aims to establish the 'big picture' of relativistic molecular quantum mechanics as the union of quantum electrodynamics and relativistic quantum chemistry. Accordingly, it provides an accessible introduction for readers new to the field, presents advanced methodologies for experts, and discusses possible future perspectives, helping readers understand when/how to apply/develop the methodologies.

  17. Avoided crossings, conical intersections, and low-lying excited states with a single reference method: the restricted active space spin-flip configuration interaction approach.

    Science.gov (United States)

    Casanova, David

    2012-08-28

    The restricted active space spin-flip CI (RASCI-SF) performance is tested in the electronic structure computation of the ground and the lowest electronically excited states in the presence of near-degeneracies. The feasibility of the method is demonstrated by analyzing the avoided crossing between the ionic and neutral singlet states of LiF along the molecular dissociation. The two potential energy surfaces (PESs) are explored by means of the energies of computed adiabatic and approximated diabatic states, dipole moments, and natural orbital electronic occupancies of both states. The RASCI-SF methodology is also used to study the ground and first excited singlet surface crossing involved in the double bond isomerization of ethylene, as a model case. The two-dimensional PESs of the ground (S(0)) and excited (S(1)) states are calculated for the complete configuration space of torsion and pyramidalization molecular distortions. The parameters that define the state energetics in the vicinity of the S(0)/S(1) conical intersection region are compared to complete active space self-consistent field (CASSCF) results. These examples show that it is possible to describe strongly correlated electronic states using a single reference methodology without the need to expand the wavefunction to high levels of collective excitations. Finally, RASCI is also examined in the electronic structure characterization of the ground and 2(1)A(g)(-), 1(1)B(u)(+), 1(1)B(u)(-), and 1(3)B(u)(-) states of all-trans polyenes with two to seven double bonds and beyond. Transition energies are compared to configuration interaction singles, time-dependent density functional theory (TDDFT), CASSCF, and its second-order perturbation correction calculations, and to experimental data. The capability of RASCI-SF to describe the nature and properties of each electronic state is discussed in detail. This example is also used to expose the properties of different truncations of the RASCI wavefunction and to

  18. A General Quadrature Solution for Relativistic, Non-relativistic, and Weakly-Relativistic Rocket Equations

    CERN Document Server

    Bruce, Adam L

    2015-01-01

    We show the traditional rocket problem, where the ejecta velocity is assumed constant, can be reduced to an integral quadrature of which the completely non-relativistic equation of Tsiolkovsky, as well as the fully relativistic equation derived by Ackeret, are limiting cases. By expanding this quadrature in series, it is shown explicitly how relativistic corrections to the mass ratio equation as the rocket transitions from the Newtonian to the relativistic regime can be represented as products of exponential functions of the rocket velocity, ejecta velocity, and the speed of light. We find that even low order correction products approximate the traditional relativistic equation to a high accuracy in flight regimes up to $0.5c$ while retaining a clear distinction between the non-relativistic base-case and relativistic corrections. We furthermore use the results developed to consider the case where the rocket is not moving relativistically but the ejecta stream is, and where the ejecta stream is massless.

  19. Zero Field Splitting of the chalcogen diatomics using relativistic correlated wave-function methods

    DEFF Research Database (Denmark)

    Rota, Jean-Baptiste; Knecht, Stefan; Fleig, Timo

    2011-01-01

    The spectrum arising from the (π*)2 configuration of the chalcogen dimers, namely the X21, a2 and b0+ states, is calculated using Wave-Function Theory (WFT) based methods. Two-component (2c) and four-component (4c) MultiReference Configuration Interaction (MRCI) and Fock-Space Coupled Cluster (FSCC......) methods are used as well as two-step methods Spin-Orbit Complete Active Space Perturbation Theory at 2nd order (SO-CASPT2) and Spin-Orbit Difference Dedicated Configuration Interaction (SODDCI). The energy of the X21 state corresponds to the Zero-Field Splitting (ZFS) of the ground state spin triplet...

  20. Relativistic length agony continued

    Directory of Open Access Journals (Sweden)

    Redžić D.V.

    2014-01-01

    Full Text Available We made an attempt to remedy recent confusing treatments of some basic relativistic concepts and results. Following the argument presented in an earlier paper (Redžić 2008b, we discussed the misconceptions that are recurrent points in the literature devoted to teaching relativity such as: there is no change in the object in Special Relativity, illusory character of relativistic length contraction, stresses and strains induced by Lorentz contraction, and related issues. We gave several examples of the traps of everyday language that lurk in Special Relativity. To remove a possible conceptual and terminological muddle, we made a distinction between the relativistic length reduction and relativistic FitzGerald-Lorentz contraction, corresponding to a passive and an active aspect of length contraction, respectively; we pointed out that both aspects have fundamental dynamical contents. As an illustration of our considerations, we discussed briefly the Dewan-Beran-Bell spaceship paradox and the ‘pole in a barn’ paradox. [Projekat Ministarstva nauke Republike Srbije, br. 171028

  1. The Relativistic Rocket

    Science.gov (United States)

    Antippa, Adel F.

    2009-01-01

    We solve the problem of the relativistic rocket by making use of the relation between Lorentzian and Galilean velocities, as well as the laws of superposition of successive collinear Lorentz boosts in the limit of infinitesimal boosts. The solution is conceptually simple, and technically straightforward, and provides an example of a powerful…

  2. Relativistic stellar models

    Indian Academy of Sciences (India)

    Home; Journals; Pramana – Journal of Physics; Volume 77; Issue 3. Relativistic stellar models ... Upon specifying particular forms for one of the gravitational potentials and the electric field intensity, the condition for pressure isotropy is transformed into a hypergeometric equation with two free parameters. For particular ...

  3. A relativistic Zeno effect

    NARCIS (Netherlands)

    Atkinson, David

    A Zenonian supertask involving an infinite number of identical colliding balls is generalized to include balls with different masses. Under the restriction that the total mass of all the balls is finite, classical mechanics leads to velocities that have no upper limit. Relativistic mechanics results

  4. Relativistic Quantum Information Theory

    Science.gov (United States)

    2007-11-20

    Relativistic Quantum Information Theory Army Research Office Grant # DAAD -0301-0207 Christoph Adami November 16, 2007 1 Foreword The stated goal of the...the future will allow us to finish the work we started. A List of manuscripts produced under ARO grant # DAAD - 0301-0207 All these manuscripts

  5. Ionization distribution near a relativistic particle track in gas

    CERN Document Server

    Grichine, V M

    2009-01-01

    The space distribution of ionization produced by relativistic charged particle around its trajectory is discussed in the framework of photo-absorption ionization model. The mean root square transverse radius of the ionization space distribution shows relativistic rise. The rise is due to relativistic increasing of Cherenkov photon generation. The photons with energy more than the first ionization potential have small but finite range which is typically much more than the range of an electron with the same energy. Calculations illustrating this effect were done using the gas mixture proposed for ALICE LHC time projection chamber.

  6. Quantum resonances in reflection of relativistic electrons and positrons

    Energy Technology Data Exchange (ETDEWEB)

    Eykhorn, Yu.L.; Korotchenko, K.B. [National Research Tomsk Polytechnic University, 30, Lenin Avenue, Tomsk 634050 (Russian Federation); Pivovarov, Yu.L. [National Research Tomsk Polytechnic University, 30, Lenin Avenue, Tomsk 634050 (Russian Federation); Tomsk State University, 36, Lenin Avenue, Tomsk 634050 (Russian Federation); Takabayashi, Y. [SAGA Light Source, 8-7 Yayoigaoka, Tosu, Saga 841-0005 (Japan)

    2015-07-15

    Calculations based on the use of realistic potential of the system of crystallographic planes confirm earlier results on existence of resonances in reflection of relativistic electrons and positrons by the crystal surface, if the crystallographic planes are parallel to the surface.The physical reason of predicted phenomena, similar to the band structure of transverse energy levels, is connected with the Bloch form of the wave functions of electrons (positrons) near the crystallographic planes, which appears both in the case of planar channeling of relativistic electrons (positrons) and in reflection by a crystal surface. Calculations show that positions of maxima in reflection of relativistic electrons and positrons by crystal surface specifically depend on the angle of incidence with respect to the crystal surface and relativistic factor of electrons/positrons. These maxima form the Darwin tables similar to that in ultra-cold neutron diffraction.

  7. Investigation of the ozone formation reaction pathway: Comparisons of full configuration interaction quantum Monte Carlo and fixed-node diffusion Monte Carlo with contracted and uncontracted MRCI

    Science.gov (United States)

    Powell, Andrew D.; Dattani, Nikesh S.; Spada, Rene F. K.; Machado, Francisco B. C.; Lischka, Hans; Dawes, Richard

    2017-09-01

    The association/dissociation reaction path for ozone (O2 + O ↔ O3) is notoriously difficult to describe accurately using ab initio electronic structure theory, due to the importance of both strong and dynamic electron correlations. Experimentally, spectroscopic studies of the highest lying recorded vibrational states combined with the observed negative temperature dependence of the kinetics of oxygen isotope exchange reactions confirm that the reaction is barrierless, consistent with the latest potential energy surfaces. Previously reported potentials based on Davidson-corrected internally contracted multireference configuration interaction (MRCI) suffer from a spurious reef feature in the entrance channel even when extrapolated towards the complete basis set limit. Here, we report an analysis of comparisons between a variety of electronic structure methods including internally contracted and uncontracted MRCI (with and without Davidson corrections), as well as full configuration interaction quantum Monte Carlo, fixed-node diffusion Monte Carlo, and density matrix renormalization group.

  8. General Relativistic Radiative Transfer and General Relativistic MHD Simulations of Accretion and Outflows of Black Holes

    Science.gov (United States)

    Fuerst, Steven V.; Mizuno, Yosuke; Nishikawa, Ken-Ichi; Wu, Kinwah

    2007-01-01

    We have calculated the emission from relativistic flows in black hole systems using a fully general relativistic radiative transfer, with flow structures obtained by general relativistic magnetohydrodynamic simulations. We consider thermal free-free emission and thermal synchrotron emission. Bright filament-like features are found protruding (visually) from the accretion disk surface, which are enhancements of synchrotron emission when the magnetic field is roughly aligned with the line-of-sight in the co-moving frame. The features move back and forth as the accretion flow evolves, but their visibility and morphology are robust. We propose that variations and location drifts of the features are responsible for certain X-ray quasi-periodic oscillations (QPOs) observed in black-hole X-ray binaries.

  9. Spectra of barium, radium, and element 120; application of the combined correlation potential, singles-doubles, and configuration interaction ab initio method

    CERN Document Server

    Ginges, J S M

    2015-01-01

    We apply a version of the recently developed approach combining the correlation potential, linearized singles-doubles coupled-cluster, and the configuration interaction methods to the spectra of the heavy alkaline earths barium, radium, and element 120. Quantum electrodynamics radiative corrections are included. We have found unprecedented agreement between ab initio theory and experiment for the spectra of barium and radium, and we make accurate predictions for missing and unreliable data for all three atoms.

  10. High Accuracy ab Initio Calculations of Rotational-Vibrational Levels of the HCN/HNC System.

    Science.gov (United States)

    Makhnev, Vladimir Yu; Kyuberis, Aleksandra A; Zobov, Nikolai F; Lodi, Lorenzo; Tennyson, Jonathan; Polyansky, Oleg L

    2018-02-08

    Highly accurate ab initio calculations of vibrational and rotational-vibrational energy levels of the HCN/HNC (hydrogen cyanide/hydrogen isocyanide) isomerising system are presented for several isotopologues. All-electron multireference configuration interaction (MRCI) electronic structure calculations were performed using basis sets up to aug-cc-pCV6Z on a grid of 1541 geometries. The ab initio energies were used to produce an analytical potential energy surface (PES) describing the two minima simultaneously. An adiabatic Born-Oppenheimer diagonal correction (BODC) correction surface as well as a relativistic correction surface were also calculated. These surfaces were used to compute vibrational and rotational-vibrational energy levels up to 25 000 cm -1 which reproduce the extensive set of experimentally known HCN/HNC levels with a root-mean-square deviation σ = 1.5 cm -1 . We studied the effect of nonadiabatic effects by introducing opportune radial and angular corrections to the nuclear kinetic energy operator. Empirical determination of two nonadiabatic parameters results in observed energies up to 7000 cm -1 for four HCN isotopologues (HCN, DCN, H 13 CN, and HC 15 N) being reproduced with σ = 0.37 cm -1 . The height of the isomerization barrier, the isomerization energy and the dissociation energy were computed using a number of models; our best results are 16 809.4, 5312.8, and 43 729 cm -1 , respectively.

  11. Multi-Configuration Dirac–Hartree–Fock (MCDHF Calculations for B-Like Ions

    Directory of Open Access Journals (Sweden)

    Indu Khatri

    2016-05-01

    Full Text Available Relativistic configuration interaction results are presented for several B-like ions (Ge XXVIII, Rb XXXIII, Sr XXXIV, Ru XL, Sn XLVI, and Ba LII using the multi-configuration Dirac–Hartree–Fock (MCDHF method. The calculations are carried out in the active space approximation with the inclusion of the Breit interaction, the finite nuclear size effect, and quantum electrodynamic corrections. Results for fine structure energy levels for 1s22s22p and 2s2p2 configurations relative to the ground state are reported. The transition wavelengths, transition probabilities, line strengths, and absorption oscillator strengths for 2s22p–2s2p2 electric dipole (E1 transitions are calculated. Both valence and core-valence correlation effects were accounted for through single-double multireference (SD-MR expansions to increasing sets of active orbitals. Comparisons are made with the available data and good agreement is achieved. The values calculated using core–valence correlation are found to be very close to other theoretical and experimental values. The behavior of oscillator strengths as a function of nuclear charge is studied. We believe that our results can guide experimentalists in identifying the fine-structure levels in their future work.

  12. Relativistic effects in the pionium lifetime

    Energy Technology Data Exchange (ETDEWEB)

    Jallouli, H.; Sazdjian, H.

    1997-12-31

    Pionium decay width is evaluated in the framework of chiral perturbation theory and the relativistic bound state formalism of constraint theory. Corrections of order O({alpha}) are calculated with respect to the conventional lowest-order formula, in which the strong interaction amplitude has been calculated to two-loop order with charged pion masses. Strong interaction corrections, electromagnetic radiative corrections due to pion-photon interactions, electromagnetic mass shift insertions in internal propagators and correction due to the passage from the strong interaction scattering amplitude are calculated. (author). 53 refs.

  13. q-Deformed Relativistic Fermion Scattering

    Directory of Open Access Journals (Sweden)

    Hadi Sobhani

    2017-01-01

    Full Text Available In this article, after introducing a kind of q-deformation in quantum mechanics, first, q-deformed form of Dirac equation in relativistic quantum mechanics is derived. Then, three important scattering problems in physics are studied. All results have satisfied what we had expected before. Furthermore, effects of all parameters in the problems on the reflection and transmission coefficients are calculated and shown graphically.

  14. Relativistic finite-temperature Thomas-Fermi model

    Science.gov (United States)

    Faussurier, Gérald

    2017-11-01

    We investigate the relativistic finite-temperature Thomas-Fermi model, which has been proposed recently in an astrophysical context. Assuming a constant distribution of protons inside the nucleus of finite size avoids severe divergence of the electron density with respect to a point-like nucleus. A formula for the nuclear radius is chosen to treat any element. The relativistic finite-temperature Thomas-Fermi model matches the two asymptotic regimes, i.e., the non-relativistic and the ultra-relativistic finite-temperature Thomas-Fermi models. The equation of state is considered in detail. For each version of the finite-temperature Thomas-Fermi model, the pressure, the kinetic energy, and the entropy are calculated. The internal energy and free energy are also considered. The thermodynamic consistency of the three models is considered by working from the free energy. The virial question is also studied in the three cases as well as the relationship with the density functional theory. The relativistic finite-temperature Thomas-Fermi model is far more involved than the non-relativistic and ultra-relativistic finite-temperature Thomas-Fermi models that are very close to each other from a mathematical point of view.

  15. A relativistic trolley paradox

    OpenAIRE

    Matvejev, Vadim N.; Matvejev, Oleg V.; Grøn, Ø.

    2016-01-01

    We present an apparent paradox within the special theory of relativity, involving a trolley with relativistic velocity and its rolling wheels. Two solutions are given, both making clear the physical reality of the Lorentz contraction, and that the distance on the rails between each time a specific point on the rim touches the rail is not equal to 2 p R ,where R is the radius of the wheel, but 2 p R = ffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffi...

  16. Numerical Relativistic Quantum Optics

    Science.gov (United States)

    2013-11-08

    m is a signed cyclotron frequency, nr is the radial quantum number and ` is the orbital quantum number. The principle quantum number is n ≡ nr...Gordon equation is accomplished via domain decomposition, where each GPGPU advances the solution in a given domain, and MPI is used for commu...other points to the corresponding location in the transfer buffer. Once the ghost cells have been updated, the GPGPU can advance the relativistic wave

  17. The relativistic glider revisited

    OpenAIRE

    Bergamin, L.; Delva, P.; Hees, A.

    2009-01-01

    In this paper we analyze some aspects of the "relativistic glider" proposed by Gu\\'eron and Mosna more in detail. In particular an explicit weak gravity and low velocity expansion is presented, the influence of different initial conditions are studied and the behavior of the glider over a longer integration time is presented. Our results confirm that the system can be used as a glider, but is not able to stop or even revert the fall of an object.

  18. Relativistic tidal disruption events

    Directory of Open Access Journals (Sweden)

    Levan A.

    2012-12-01

    Full Text Available In March 2011 Swift detected an extremely luminous and long-lived outburst from the nucleus of an otherwise quiescent, low luminosity (LMC-like galaxy. Named Swift J1644+57, its combination of high-energy luminosity (1048 ergs s−1 at peak, rapid X-ray variability (factors of >100 on timescales of 100 seconds and luminous, rising radio emission suggested that we were witnessing the birth of a moderately relativistic jet (Γ ∼ 2 − 5, created when a star is tidally disrupted by the supermassive black hole in the centre of the galaxy. A second event, Swift J2058+0516, detected two months later, with broadly similar properties lends further weight to this interpretation. Taken together this suggests that a fraction of tidal disruption events do indeed create relativistic outflows, demonstrates their detectability, and also implies that low mass galaxies can host massive black holes. Here, I briefly outline the observational properties of these relativistic tidal flares observed last year, and their evolution over the first year since their discovery.

  19. A relativistic gravity train

    Science.gov (United States)

    Parker, Edward

    2017-08-01

    A nonrelativistic particle released from rest at the edge of a ball of uniform charge density or mass density oscillates with simple harmonic motion. We consider the relativistic generalizations of these situations where the particle can attain speeds arbitrarily close to the speed of light; generalizing the electrostatic and gravitational cases requires special and general relativity, respectively. We find exact closed-form relations between the position, proper time, and coordinate time in both cases, and find that they are no longer harmonic, with oscillation periods that depend on the amplitude. In the highly relativistic limit of both cases, the particle spends almost all of its proper time near the turning points, but almost all of the coordinate time moving through the bulk of the ball. Buchdahl's theorem imposes nontrivial constraints on the general-relativistic case, as a ball of given density can only attain a finite maximum radius before collapsing into a black hole. This article is intended to be pedagogical, and should be accessible to those who have taken an undergraduate course in general relativity.

  20. Gravitationally confined relativistic neutrinos

    Science.gov (United States)

    Vayenas, C. G.; Fokas, A. S.; Grigoriou, D.

    2017-09-01

    Combining special relativity, the equivalence principle, and Newton’s universal gravitational law with gravitational rather than rest masses, one finds that gravitational interactions between relativistic neutrinos with kinetic energies above 50 MeV are very strong and can lead to the formation of gravitationally confined composite structures with the mass and other properties of hadrons. One may model such structures by considering three neutrinos moving symmetrically on a circular orbit under the influence of their gravitational attraction, and by assuming quantization of their angular momentum, as in the Bohr model of the H atom. The model contains no adjustable parameters and its solution, using a neutrino rest mass of 0.05 eV/c2, leads to composite state radii close to 1 fm and composite state masses close to 1 GeV/c2. Similar models of relativistic rotating electron - neutrino pairs give a mass of 81 GeV/c2, close to that of W bosons. This novel mechanism of generating mass suggests that the Higgs mass generation mechanism can be modeled as a latent gravitational field which gets activated by relativistic neutrinos.

  1. Implications of configuration interaction wavefunctions in length and velocity theoretical determination of generalized oscillator strengths for the excitations to 2p5(3d,4s, 4d, 4f) of neon

    Science.gov (United States)

    Gomis, Louis; Tall, Moustapha Sadibou; Hibbert, Alan; Diallo, Saïdou; Faye, Ibrahima Guèye.; Diédhiou, Ismaïla; Diatta, Christian Sina

    2017-11-01

    The generalized oscillator strengths (GOSs) of 2p5(3d,4s, 4d, 4f) states excited from neon ground state, are studied by the configuration interaction (C I) method and the random phase approximation with exchange (RPAE). Wavefunctions of these states obtained from the configuration interaction code CIV3 of Hibbert are employed to compute these GOSs. We report results of calculations for both the velocity and length formulations of the GOS for the neon transitions 2p6 → 2p54s, 2p6 → 2p5(3d,4d) and 2p6 → 2p54f respectively for multipole strengths ℓ = 1, ℓ = 1, 3 and ℓ = 2, 4 respectively. The results show remarkable agreement among the extrema positions resulting from the velocity and length forms despite the rather different absolute values of GOS they reveal. This work reduces significantly the difference between the extrema positions of the GOS obtained in the theoretical calculations of Amusia et al. and those experimentally found by Chen et al. for dipole 2p6 → 2p54s transition. The profiles of our calculated GOS are in agreement with the theoretical results of Amusia et al. In the present work, for the 2p6 → 2p5(3d,4d) transitions, our length dipole RPAE GOS curves agree with the pictures obtained from the data RPAE GOS of Amusia et al. while the length octupole GOS have values smaller than those of the Amusia et al. GOS results except in the small squared transferred momentum K2 region. Good agreement between our length RPAE GOS and the recent RPAE results of Amusia et al. is found for the quadrupole excitation to 2p54f. The results of length and velocity hexadecapole GOS are comparable with each other for the same transition, and experimental work is needed. The present calculations also reveal that the electron correlations effects are noticeable around the region of the GOS maxima.

  2. Nucleon self-energy in the relativistic Brueckner theory

    Energy Technology Data Exchange (ETDEWEB)

    Waindzoch, T.; Fuchs, C.; Faessler, A. [Inst. fuer Theoretische Physik, Univ. Tuebingen (Germany)

    1998-06-01

    The self-energy of the nucleon in nuclear matter is calculated in the relativistic Brueckner theory. We solve the Thompson equation for the two nucleon scattering in the medium using different Bonn potentials. The self-energy has a rather strong momentum dependence while the equation of state compares well with previous calculations. (orig.)

  3. General Relativistic Effects in Atom Interferometry

    Energy Technology Data Exchange (ETDEWEB)

    Dimopoulos, Savas; /Stanford U., Phys. Dept.; Graham, Peter W.; /SLAC /Stanford U., Phys. Dept.; Hogan, Jason M.; Kasevich, Mark A.; /Stanford U., Phys. Dept.

    2008-03-17

    Atom interferometry is now reaching sufficient precision to motivate laboratory tests of general relativity. We begin by explaining the non-relativistic calculation of the phase shift in an atom interferometer and deriving its range of validity. From this we develop a method for calculating the phase shift in general relativity. This formalism is then used to find the relativistic effects in an atom interferometer in a weak gravitational field for application to laboratory tests of general relativity. The potentially testable relativistic effects include the non-linear three-graviton coupling, the gravity of kinetic energy, and the falling of light. We propose experiments, one currently under construction, that could provide a test of the principle of equivalence to 1 part in 10{sup 15} (300 times better than the present limit), and general relativity at the 10% level, with many potential future improvements. We also consider applications to other metrics including the Lense-Thirring effect, the expansion of the universe, and preferred frame and location effects.

  4. CI-RMBPT calculations of photoionization cross sections from quasi-continuum oscillator strengths

    CERN Document Server

    Savukov, I M

    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) that has been successful in predicting atomic energies, matrix elements between discrete states, and other properties is quite promising, but it has not been applied to photo-ionization 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 photo-ionization cross sections with minimal modifications of the codes is introduced and CI-RMBPT cross sections of Ne, Ar, Kr, Xe are calculated. A consistent agreement with experiment is found. RMBPT corrections are particularly significant for Ar, Kr, and Xe and improve agreement with experiment compared to the particle-hole CI method. The demonstrated conversion method can be applied to CI-RMBPT photo-ionization calculations for a large number of multi-valenc...

  5. Newtonian view of general relativistic stars

    Energy Technology Data Exchange (ETDEWEB)

    Oliveira, A.M. [Instituto Federal do Espirito Santo (IFES), Grupo de Ciencias Ambientais e Recursos Naturais, Guarapari (Brazil); Velten, H.E.S.; Fabris, J.C. [Universidade Federal do Espirito Santo (UFES), Departamento de Fisica, Vitoria (Brazil); Salako, I.G. [Institut de Mathematiques et de Sciences Physiques (IMSP), Porto-Novo (Benin)

    2014-11-15

    Although general relativistic cosmological solutions, even in the presence of pressure, can be mimicked by using neo-Newtonian hydrodynamics, it is not clear whether there exists the same Newtonian correspondence for spherical static configurations. General relativity solutions for stars are known as the Tolman-Oppenheimer-Volkoff (TOV) equations. On the other hand, the Newtonian description does not take into account the total pressure effects and therefore cannot be used in strong field regimes. We discuss how to incorporate pressure in the stellar equilibrium equations within the neo-Newtonian framework. We compare the Newtonian, neo-Newtonian, and the full relativistic theory by solving the equilibrium equations for both three approaches and calculating the mass-radius diagrams for some simple neutron stars' equations of state. (orig.)

  6. Transport models for relativistic heavy-ion collisions at Relativistic ...

    Indian Academy of Sciences (India)

    2015-04-29

    Apr 29, 2015 ... Transport models for relativistic heavy-ion collisions at Relativistic Heavy Ion Collider and Large Hadron Collider. Subrata Pal. Volume 84 Issue 5 May 2015 pp ... Subrata Pal1. Department of Nuclear and Atomic Physics, Tata Institute of Fundamental Research, Homi Bhabha Road, Mumbai 400 005, India ...

  7. Tartarus: A relativistic Green's function quantum average atom code

    Science.gov (United States)

    Gill, N. M.; Starrett, C. E.

    2017-09-01

    A relativistic Green's Function quantum average atom model is implemented in the Tartarus code for the calculation of equation of state data in dense plasmas. We first present the relativistic extension of the quantum Green's Function average atom model described by Starrett [1]. The Green's Function approach addresses the numerical challenges arising from resonances in the continuum density of states without the need for resonance tracking algorithms or adaptive meshes, though there are still numerical challenges inherent to this algorithm. We discuss how these challenges are addressed in the Tartarus algorithm. The outputs of the calculation are shown in comparison to PIMC/DFT-MD simulations of the Principal Shock Hugoniot in Silicon. We also present the calculation of the Hugoniot for Silver coming from both the relativistic and nonrelativistic modes of the Tartarus code.

  8. Relativistic Dynamics of Graphene

    Science.gov (United States)

    Semenoff, Gordon

    2011-10-01

    Graphene is a one-atom thick layer of carbon atoms where electrons obey an emergent Dirac equation. Only seven years after it first became available in the laboratory, graphene has captured the attention of a wide spectrum of scientists: from particle physicists interested in using graphene's emergent relativistic dynamics to study quantum field theory phenomena to condensed matter physicists fascinated by its unusual electronic propertied and technologists searching for materials for the nest generation of electronic devices. This presentation will review the basics of graphene and some questions, such as the possibility of chiral symmetry breaking, which have overlap with similar ones in strong interaction particle physics.

  9. Relativistic twins or sextuplets?

    CERN Document Server

    Sheldon, E S

    2003-01-01

    A recent study of the relativistic twin 'paradox' by Soni in this journal affirmed that 'A simple solution of the twin paradox also shows anomalous behaviour of rigidly connected distant clocks' but entailed a pedagogic hurdle which the present treatment aims to surmount. Two scenarios are presented: the first 'flight-plan' is akin to that depicted by Soni, with constant-velocity segments, while the second portrays an alternative mission undertaken with sustained acceleration and deceleration, illustrated quantitatively for a two-way spacecraft flight from Earth to Polaris (465.9 light years distant) and back.

  10. Relativistic wave mechanics

    CERN Document Server

    Corinaldesi, Ernesto

    1963-01-01

    Geared toward advanced undergraduate and graduate students of physics, this text provides readers with a background in relativistic wave mechanics and prepares them for the study of field theory. The treatment originated as a series of lectures from a course on advanced quantum mechanics that has been further amplified by student contributions.An introductory section related to particles and wave functions precedes the three-part treatment. An examination of particles of spin zero follows, addressing wave equation, Lagrangian formalism, physical quantities as mean values, translation and rotat

  11. Relativistic dissipative fluids

    CERN Document Server

    Geroch, R

    1993-01-01

    We observe in Nature fluids that manifest dissipation, e.g., the effects of heat conductivity and viscosity. We believe that all physical phenomena are to be described within the framework of General Relativity. What, then, is the appropriate description of a relativistic dissipative fluid? This is not only a question of principle, but also one of practical interest. There exist systems, such as certain neutron stars, in which relativity and dissipation are at the same time significant.

  12. Multireference Configuration Interaction Methods – An Application to the Valence Isomerism in Cyclobutadieno-p-benzoquinone and its Diprotonated Form

    Directory of Open Access Journals (Sweden)

    Mario Vazdar

    2015-12-01

    Full Text Available Multireference averaged quadratic coupled cluster (MR-AQCC calculations for cyclobutadieno-p-benzoquinone indicate that valence bond isomers 1a and 1b can exist as distinct species. The energy barrier height for their interconversion are 4.6 and 4.5 kcal mol−1, respectively, what is by ca. 2 kcal mol−1 lower than in the parent cyclobutadiene, implying that they could perhaps exist only under extreme conditions, namely at very low temperatures. For double protonated cyclobutadieno-p-benzoquinone, the CASSCF calculations erroneously predict existence of two valence isomers, 2a and 2b, whereas the MR-AQCC calculations reveal that geometry of the double protonated species could be best described by structure 2b. This nicely illustrates the crucial role of dynamic correlation and the need for using a highly-correlated theoretical method including geometry optimization in studied molecules.

  13. Exotic Non-relativistic String

    CERN Document Server

    Casalbuoni, Roberto; Longhi, Giorgio

    2007-01-01

    We construct a classical non-relativistic string model in 3+1 dimensions. The model contains a spurion tensor field that is responsible for the non-commutative structure of the model. Under double dimensional reduction the model reduces to the exotic non-relativistic particle in 2+1 dimensions.

  14. A relativistic trolley paradox

    Science.gov (United States)

    Matvejev, Vadim N.; Matvejev, Oleg V.; Grøn, Ø.

    2016-06-01

    We present an apparent paradox within the special theory of relativity, involving a trolley with relativistic velocity and its rolling wheels. Two solutions are given, both making clear the physical reality of the Lorentz contraction, and that the distance on the rails between each time a specific point on the rim touches the rail is not equal to 2 π R , where R is the radius of the wheel, but 2 π R / √{ 1 - R 2 Ω 2 / c 2 } , where Ω is the angular velocity of the wheels. In one solution, the wheel radius is constant as the velocity of the trolley increases, and in the other the wheels contract in the radial direction. We also explain two surprising facts. First that the shape of a rolling wheel is elliptical in spite of the fact that the upper part of the wheel moves faster than the lower part, and thus is more Lorentz contracted, and second that a Lorentz contracted wheel with relativistic velocity rolls out a larger distance between two successive touches of a point of the wheel on the rails than the length of a circle with the same radius as the wheels.

  15. Relativistic ring models

    Energy Technology Data Exchange (ETDEWEB)

    Ujevic, Maximiliano [Universidade Federal do ABC (UFABC), Santo Andre, SP (Brazil). Centro de Ciencias Naturais e Humanas; Letelier, Patricio S.; Vogt, Daniel [Universidade Estadual de Campinas (UNICAMP), SP (Brazil). Inst. de Matematica, Estatistica e Computacao Cientifica. Dept. de Matematica Aplicada

    2011-07-01

    Full text: Relativistic thick ring models are constructed using previously found analytical Newtonian potential-density pairs for flat rings and toroidal structures obtained from Kuzmin-Toomre family of discs. This was achieved by inflating previously constructed Newtonian ring potentials using the transformation |z|{yields}{radical}z{sup 2} + b{sup 2}, and then finding their relativistic analog. The models presented have infinite extension but the physical quantities decays very fast with the distance, and in principle, one could make a cut-off radius to consider it finite. In particular, we present systems with one ring, two rings and a disc with a ring. Also, the circular velocity of a test particle and its stability when performing circular orbits are presented in all these models. Using the Rayleigh criterion of stability of a fluid at rest in a gravitational field, we find that the different systems studied present a region of non-stability that appears in the intersection of the disc and the ring, and between the rings when they become thinner. (author)

  16. Relativistic Planck-scale polymer

    Science.gov (United States)

    Amelino-Camelia, Giovanni; Arzano, Michele; Da Silva, Malú Maira; Orozco-Borunda, Daniel H.

    2017-12-01

    Polymer quantum mechanics has been studied as a simplified picture that reflects some of the key properties of Loop Quantum Gravity; however, while the fate of relativistic symmetries in Loop Quantum Gravity is still not established, it is usually assumed that the discrete polymer structure should lead to a breakdown of relativistic symmetries. We here focus for simplicity on a one-spatial-dimension polymer model and show that relativistic symmetries are deformed, rather than being broken. The specific type of deformed relativistic symmetries which we uncover appears to be closely related to analogous descriptions of relativistic symmetries in some noncommutative spacetimes. This also contributes to an ongoing effort attempting to establish whether the ;quantum-Minkowski limit; of Loop Quantum Gravity is a noncommutative spacetime.

  17. Relativistic mass and charge of photons in thermal plasmas through electromagnetic field quantization.

    Science.gov (United States)

    Asenjo, Felipe A; Muñoz, Víctor; Valdivia, J Alejandro

    2010-05-01

    An effective photon mass and equivalent photon charge are calculated for plasmas with finite temperature, by using a second covariant quantization of the electromagnetic field, which is based on a nonlinear magnetofluid unification field formalism. Relativistic effects are considered both in the fluid bulk motion and in the thermal motion. The effective relativistic photon mass is found for transverse and longitudinal photons, while the equivalent relativistic photon charge is obtained for purely transverse photons. Both quantum quantities are the relativistic generalization, at finite temperature, of previous results [Mendonça, et al., Phys. Rev. E 62, 2989 (2000)]. The dependence with temperature is studied in both cases.

  18. Channeling and electromagnetic radiation of relativistic charged particles in metal-organic frameworks

    Science.gov (United States)

    Zhevago, N. K.; Glebov, V. I.

    2017-06-01

    We have developed the theory of electromagnetic interaction of relativistic charged particles with metal-organic frameworks (MOFs). The electrostatic potential and electron number density distribution in MOFs were calculated using the most accurate data for the atomic form factors. Peculiarities of axial channeling of fast charged particles and various types of electromagnetic radiation from relativistic particles has been discussed.

  19. Optimizing the Structure of Tetracyanoplatinate (II): A Comparison of Relativistic Density Functional Theory Methods

    DEFF Research Database (Denmark)

    Dohn, Asmus Ougaard; Møller, Klaus Braagaard; Sauer, Stephan P. A.

    2013-01-01

    The geometry of tetracyanoplatinate(II) (TCP) has been optimized with density functional theory (DFT) calculations in order to compare different computational strategies. Two approximate scalar relativistic methods, i.e. the scalar zeroth-order regular approximation (ZORA) and non-relativistic ca...

  20. Bremsstrahlung from relativistic bare heavy ions: Nuclear and electronic contributions in amorphous and crystalline materials

    DEFF Research Database (Denmark)

    Jensen, Tue Vissing; Sørensen, Allan Hvidkjær

    2013-01-01

    A charged particle emits bremsstrahlung while traversing matter. We calculate the radiation cross section for bare heavy ions penetrating amorphous materials and single crystals at highly relativistic energies. The main component originates in scattering of the virtual photons of screened target...... in a pronounced directional dependence of the energy loss of bare heavy ions at extreme relativistic energies....

  1. Considerations of acceleration effects in relativistic kinematics

    Science.gov (United States)

    Caviness, Kenneth Edwin

    An extended special-relativistic formalism incorporating non-inertial frames undergoing constant proper acceleration is developed as a natural outgrowth of Einstein's 1905 and 1907 treatises. Based on the so-called clock hypothesis, tacitly used by Einstein, and enunciated by von Laue in 1913, which states that the rate of a ideal clock is independent of its momentary acceleration, extended special relativity (ESR) makes use of the Moeller transformation and generalizes the work of Brehme to form a consistent mathematical framework, revealing a number of hitherto hidden features. From this basis, a number of highly interesting kinematic phenomena are considered, among which are: the nonconstancy of the speed of light and the variation of time rates within an accelerated system; the Doppler shift and aberration of light in a noninertial system, viewed by an inertial observer; the curved path of a light signal, preparatory to a treatment of the spatial and temporal Terrell effects in the ESR formalism. The ensuing equations are compared with special relativistic results, and in each case the role of acceleration in the formulae is defined. Quantitative calculations were made, and the results shown in graph form. The ESR formalism is then shown to be a particular case of the general-relativistic formalism. The limits of the accelerated observer's universe and the limits of the theory are discussed.

  2. Relativistic timescale analysis suggests lunar theory revision

    Science.gov (United States)

    Deines, Steven D.; Williams, Carol A.

    1995-01-01

    The SI second of the atomic clock was calibrated to match the Ephemeris Time (ET) second in a mutual four year effort between the National Physical Laboratory (NPL) and the United States Naval Observatory (USNO). The ephemeris time is 'clocked' by observing the elapsed time it takes the Moon to cross two positions (usually occultation of stars relative to a position on Earth) and dividing that time span into the predicted seconds according to the lunar equations of motion. The last revision of the equations of motion was the Improved Lunar Ephemeris (ILE), which was based on E. W. Brown's lunar theory. Brown classically derived the lunar equations from a purely Newtonian gravity with no relativistic compensations. However, ET is very theory dependent and is affected by relativity, which was not included in the ILE. To investigate the relativistic effects, a new, noninertial metric for a gravitated, translationally accelerated and rotating reference frame has three sets of contributions, namely (1) Earth's velocity, (2) the static solar gravity field and (3) the centripetal acceleration from Earth's orbit. This last term can be characterized as a pseudogravitational acceleration. This metric predicts a time dilation calculated to be -0.787481 seconds in one year. The effect of this dilation would make the ET timescale run slower than had been originally determined. Interestingly, this value is within 2 percent of the average leap second insertion rate, which is the result of the divergence between International Atomic Time (TAI) and Earth's rotational time called Universal Time (UT or UTI). Because the predictions themselves are significant, regardless of the comparison to TAI and UT, the authors will be rederiving the lunar ephemeris model in the manner of Brown with the relativistic time dilation effects from the new metric to determine a revised, relativistic ephemeris timescale that could be used to determine UT free of leap second adjustments.

  3. Relativistic gauge invariant potentials

    Energy Technology Data Exchange (ETDEWEB)

    Gonzalez, J.J. (Valladolid Univ. (Spain). Dept. de Fisica Teorica); Negro, J. (Valladolid Univ. (Spain). Dept. de Fisica Teorica); Olmo, M.A. del (Valladolid Univ. (Spain). Dept. de Fisica Teorica)

    1995-01-01

    A global method characterizing the invariant connections on an abelian principal bundle under a group of transformations is applied in order to get gauge invariant electromagnetic (elm.) potentials in a systematic way. So, we have classified all the elm. gauge invariant potentials under the Poincare subgroups of dimensions 4, 5, and 6, up to conjugation. It is paid attention in particular to the situation where these subgroups do not act transitively on the space-time manifold. We have used the same procedure for some galilean subgroups to get nonrelativistic potentials and study the way they are related to their relativistic partners by means of contractions. Some conformal gauge invariant potentials have also been derived and considered when they are seen as consequence of an enlargement of the Poincare symmetries. (orig.)

  4. Relativistic Light Sails

    Energy Technology Data Exchange (ETDEWEB)

    Kipping, David, E-mail: dkipping@astro.columbia.edu [Department of Astronomy, Columbia University, 550 W. 120th St., New York, NY 10027 (United States)

    2017-06-01

    One proposed method for spacecraft to reach nearby stars is by accelerating sails using either solar radiation pressure or directed energy. This idea constitutes the thesis behind the Breakthrough Starshot project, which aims to accelerate a gram-mass spacecraft up to one-fifth the speed of light toward Proxima Centauri. For such a case, the combination of the sail’s low mass and relativistic velocity renders previous treatments incorrect at the 10% level, including that of Einstein himself in his seminal 1905 paper introducing special relativity. To address this, we present formulae for a sail’s acceleration, first in response to a single photon and then extended to an ensemble. We show how the sail’s motion in response to an ensemble of incident photons is equivalent to that of a single photon of energy equal to that of the ensemble. We use this principle of ensemble equivalence for both perfect and imperfect mirrors, enabling a simple analytic prediction of the sail’s velocity curve. Using our results and adopting putative parameters for Starshot , we estimate that previous relativistic treatments underestimate the spacecraft’s terminal velocity by ∼10% for the same incident energy. Additionally, we use a simple model to predict the sail’s temperature and diffraction beam losses during the laser firing period; this allows us to estimate that, for firing times of a few minutes and operating temperatures below 300°C (573 K), Starshot will require a sail that absorbs less than one in 260,000 photons.

  5. Relativistic Light Sails

    Science.gov (United States)

    Kipping, David

    2017-06-01

    One proposed method for spacecraft to reach nearby stars is by accelerating sails using either solar radiation pressure or directed energy. This idea constitutes the thesis behind the Breakthrough Starshot project, which aims to accelerate a gram-mass spacecraft up to one-fifth the speed of light toward Proxima Centauri. For such a case, the combination of the sail’s low mass and relativistic velocity renders previous treatments incorrect at the 10% level, including that of Einstein himself in his seminal 1905 paper introducing special relativity. To address this, we present formulae for a sail’s acceleration, first in response to a single photon and then extended to an ensemble. We show how the sail’s motion in response to an ensemble of incident photons is equivalent to that of a single photon of energy equal to that of the ensemble. We use this principle of ensemble equivalence for both perfect and imperfect mirrors, enabling a simple analytic prediction of the sail’s velocity curve. Using our results and adopting putative parameters for Starshot, we estimate that previous relativistic treatments underestimate the spacecraft’s terminal velocity by ˜10% for the same incident energy. Additionally, we use a simple model to predict the sail’s temperature and diffraction beam losses during the laser firing period; this allows us to estimate that, for firing times of a few minutes and operating temperatures below 300°C (573 K), Starshot will require a sail that absorbs less than one in 260,000 photons.

  6. Semiclassical treatment of asymmetric semi-infinite nuclear matter: surface and curvature properties in relativistic and non-relativistic models

    Energy Technology Data Exchange (ETDEWEB)

    Centelles, M.; Del Estal, M.; Vinas, X. [Barcelona Univ. (Spain). Facultad de Fisica

    1998-05-25

    Surface and curvature properties of asymmetric semi-infinite nuclear matter are studied to beyond the proton drip. Using the semiclassical extended Thomas-Fermi method with corrections of order {Dirac_h}{sup 2}, the calculations are performed in the non-relativistic and relativistic mean field theories (Skyrme forces and non-linear {sigma}-{omega} parametrizations). First we discuss the bulk equilibrium between the nuclear and drip phases. Next we analyse the asymmetric surface as a function of the bulk neutron excess. We examine local quantities related to the density profiles and, for two definitions of the bulk reference energy, the surface and curvature energy coefficients. The calculation of the curvature energy is carefully treated. The sensitivity of the nuclear surface to the relativistic effects is investigated. Mass formulae useful for arbitrary neutron excess are discussed, and their limit at small asymmetries is compared with the liquid droplet model mass formula. (orig.) 64 refs.

  7. Physics of Nonmagnetic Relativistic Thermal Plasmas. Ph.D. Thesis - Calif. Univ., San Diego

    Science.gov (United States)

    Dermer, C. D.

    1984-01-01

    A detailed treatment of the kinematics of relativistic systems of particles and photons is presented. In the case of a relativistic Maxwell-Boltzmann distribution of particles, the reaction rate and luminosity are written as single integrals over the invariant cross section, and the production spectrum is written as a double integral over the cross section differential in the energy of the produced particles (or photons) in the center-of-momentum system of two colliding particles. The results are applied to the calculation of the annihilation spectrum of a thermal electron-positron plasma, confirming previous numerical and analytic results. Relativistic thermal electron-ion and electron-electron bremsstrahlung are calculated exactly to lowest order, and relativistic thermal electron-positron bremsstrahlung is calculated in an approximate fashion. An approximate treatment of relativistic Comptonization is developed. The question of thermalization of a relativistic plasma is considered. A formula for the energy loss or exchange rate from the interaction of two relativistic Maxwell-Boltzmann plasmas at different temperatures is derived. Application to a stable, uniform, nonmagnetic relativistic thermal plasma is made. Comparison is made with other studies.

  8. Loop-driven graphical unitary group approach to the electron correlation problem, including configuration interaction energy gradients

    Energy Technology Data Exchange (ETDEWEB)

    Brooks, B.R.

    1979-09-01

    The Graphical Unitary Group Approach (GUGA) was cast into an extraordinarily powerful form by restructuring the Hamiltonian in terms of loop types. This restructuring allows the adoption of the loop-driven formulation which illuminates vast numbers of previously unappreciated relationships between otherwise distinct Hamiltonian matrix elements. The theoretical/methodological contributions made here include the development of the loop-driven formula generation algorithm, a solution of the upper walk problem used to develop a loop breakdown algorithm, the restriction of configuration space employed to the multireference interacting space, and the restructuring of the Hamiltonian in terms of loop types. Several other developments are presented and discussed. Among these developments are the use of new segment coefficients, improvements in the loop-driven algorithm, implicit generation of loops wholly within the external space adapted within the framework of the loop-driven methodology, and comparisons of the diagonalization tape method to the direct method. It is also shown how it is possible to implement the GUGA method without the time-consuming full (m/sup 5/) four-index transformation. A particularly promising new direction presented here involves the use of the GUGA methodology to obtain one-electron and two-electron density matrices. Once these are known, analytical gradients (first derivatives) of the CI potential energy are easily obtained. Several test calculations are examined in detail to illustrate the unique features of the method. Also included is a calculation on the asymmetric 2/sup 1/A' state of SO/sub 2/ with 23,613 configurations to demonstrate methods for the diagonalization of very large matrices on a minicomputer. 6 figures, 6 tables.

  9. Proton relativistic model; Modelo relativistico do proton

    Energy Technology Data Exchange (ETDEWEB)

    Araujo, Wilson Roberto Barbosa de

    1995-12-31

    In this dissertation, we present a model for the nucleon, which is composed by three relativistic quarks interacting through a contract force. The nucleon wave-function was obtained from the Faddeev equation in the null-plane. The covariance of the model under kinematical null-plane boots is discussed. The electric proton form-factor, calculated from the Faddeev wave-function, was in agreement with the data for low-momentum transfers and described qualitatively the asymptotic region for momentum transfers around 2 GeV. (author) 42 refs., 22 figs., 1 tab.

  10. Relativistic dynamical spin excitations of magnetic adatoms

    Science.gov (United States)

    dos Santos Dias, M.; Schweflinghaus, B.; Blügel, S.; Lounis, S.

    2015-02-01

    We present a first-principles theory of dynamical spin excitations in the presence of spin-orbit coupling. The broken global spin rotational invariance leads to a new sum rule. We explore the competition between the magnetic anisotropy energy and the external magnetic field, as well as the role of electron-hole excitations, through calculations for 3 d -metal adatoms on the Cu(111) surface. The spin excitation resonance energy and lifetime display nontrivial behavior, establishing the strong impact of relativistic effects. We legitimate the use of the Landau-Lifshitz-Gilbert equation down to the atomic limit, but with parameters that differ from a stationary theory.

  11. Superposition as a Relativistic Filter

    Science.gov (United States)

    Ord, G. N.

    2017-07-01

    By associating a binary signal with the relativistic worldline of a particle, a binary form of the phase of non-relativistic wavefunctions is naturally produced by time dilation. An analog of superposition also appears as a Lorentz filtering process, removing paths that are relativistically inequivalent. In a model that includes a stochastic component, the free-particle Schrödinger equation emerges from a completely relativistic context in which its origin and function is known. The result establishes the fact that the phase of wavefunctions in Schrödinger's equation and the attendant superposition principle may both be considered remnants of time dilation. This strongly argues that quantum mechanics has its origins in special relativity.

  12. Relativistic effects on the NMR parameters of Si, Ge, Sn, and Pb alkynyl compounds: Scalar versus spin-orbit effects

    Science.gov (United States)

    Demissie, Taye B.

    2017-11-01

    The NMR chemical shifts and indirect spin-spin coupling constants of 12 molecules containing 29Si, 73Ge, 119Sn, and 207Pb [X(CCMe)4, Me2X(CCMe)2, and Me3XCCH] are presented. The results are obtained from non-relativistic as well as two- and four-component relativistic density functional theory (DFT) calculations. The scalar and spin-orbit relativistic contributions as well as the total relativistic corrections are determined. The main relativistic effect in these molecules is not due to spin-orbit coupling but rather to the scalar relativistic contraction of the s-shells. The correlation between the calculated and experimental indirect spin-spin coupling constants showed that the four-component relativistic density functional theory (DFT) approach using the Perdew's hybrid scheme exchange-correlation functional (PBE0; using the Perdew-Burke-Ernzerhof exchange and correlation functionals) gives results in good agreement with experimental values. The indirect spin-spin coupling constants calculated using the spin-orbit zeroth order regular approximation together with the hybrid PBE0 functional and the specially designed J-coupling (JCPL) basis sets are in good agreement with the results obtained from the four-component relativistic calculations. For the coupling constants involving the heavy atoms, the relativistic corrections are of the same order of magnitude compared to the non-relativistically calculated results. Based on the comparisons of the calculated results with available experimental values, the best results for all the chemical shifts and non-existing indirect spin-spin coupling constants for all the molecules are reported, hoping that these accurate results will be used to benchmark future DFT calculations. The present study also demonstrates that the four-component relativistic DFT method has reached a level of maturity that makes it a convenient and accurate tool to calculate indirect spin-spin coupling constants of "large" molecular systems involving

  13. Stochastic Oscillations of General Relativistic Disks Described by a ...

    Indian Academy of Sciences (India)

    A generalized Langevin equation driven by fractional Brownian motion is used to describe the vertical oscillations of general relativistic disks. By means of numerical calculation method, the displacements, velocities and luminosities of oscillating disks are explicitly obtained for different Hurst exponent H . The results show ...

  14. Variational Wigner-Kirkwood approach to relativistic mean field theory

    Energy Technology Data Exchange (ETDEWEB)

    Del Estal, M.; Centelles, M.; Vinas, X. [Departament d`Estructura i Constituents de la Materia, Facultat de Fisica, Universitat de Barcelona, Diagonal 647, E-08028 Barcelona (Spain)

    1997-10-01

    The recently developed variational Wigner-Kirkwood approach is extended to the relativistic mean field theory for finite nuclei. A numerical application to the calculation of the surface energy coefficient in semi-infinite nuclear matter is presented. The new method is contrasted with the standard density functional theory and the fully quantal approach. {copyright} {ital 1997} {ital The American Physical Society}

  15. Quantum signaling in relativistic motion and across acceleration horizons

    Science.gov (United States)

    Jonsson, Robert H.

    2017-09-01

    The quantum channel between two particle detectors provides a prototype framework for the study of wireless quantum communication via relativistic quantum fields. In this article we calculate the classical channel capacity between two Unruh-DeWitt detectors arising from couplings within the perturbative regime. To this end, we identify the detector states which achieve maximal signal strength. We use these results to investigate the impact of relativistic effects on signaling between detectors in inertial and uniformly accelerated motion which communicate via a massless field in Minkowski spacetime.

  16. Relativistic multiwave Cerenkov generator

    Science.gov (United States)

    Bugaev, S. P.; Kanavets, V. I.; Klimov, A. I.; Koshelev, V. I.; Cherepenin, V. A.

    1983-11-01

    The design and operation of a multiwave Cerenkov generator using a relativistic electron beam are reported. The device comprises a 3-cm-radius tubular graphite cathode fed with a 1-microsec 1-2.5-MW pulse from a Marx generator; a 5.6-cm-radius anode; an increasing 14-32-kG magnetic field; a 3.4-cm-aperture-radius graphite collimating iris; a stainless-steel semitoroidal-iris-loaded slow-wave structure of maximum length 48.6 cm, inside radius 4.2 cm, iris aperture radius 3.0 cm, iris minor radius 3 mm, and period 1.5 cm; a stainless-steel cone collector; and a vacuum-tight 60-cm-radius window. At 2.5 MV and 21 kG, output power at wavelength 3.15 + or - 0.1 cm is measured as about 5 GW, with baseline pulse length 30-50 nsec and efficiency up to about 10 percent.

  17. Relativistic Electron Vortices.

    Science.gov (United States)

    Barnett, Stephen M

    2017-03-17

    The desire to push recent experiments on electron vortices to higher energies leads to some theoretical difficulties. In particular the simple and very successful picture of phase vortices of vortex charge ℓ associated with ℓℏ units of orbital angular momentum per electron is challenged by the facts that (i) the spin and orbital angular momentum are not separately conserved for a Dirac electron, which suggests that the existence of a spin-orbit coupling will complicate matters, and (ii) that the velocity of a Dirac electron is not simply the gradient of a phase as it is in the Schrödinger theory suggesting that, perhaps, electron vortices might not exist at a fundamental level. We resolve these difficulties by showing that electron vortices do indeed exist in the relativistic theory and show that the charge of such a vortex is simply related to a conserved orbital part of the total angular momentum, closely related to the familiar situation for the orbital angular momentum of a photon.

  18. SCRIC: a code dedicated to the detailed emission and absorption of heterogeneous NLTE plasmas; application to xenon EUV sources; SCRIC: un code pour calculer l'absorption et l'emission detaillees de plasmas hors equilibre, inhomogenes et etendus; application aux sources EUV a base de xenon

    Energy Technology Data Exchange (ETDEWEB)

    Gaufridy de Dortan, F. de

    2006-07-01

    Nearly all spectral opacity codes for LTE and NLTE plasmas rely on configurations approximate modelling or even supra-configurations modelling for mid Z plasmas. But in some cases, configurations interaction (either relativistic and non relativistic) induces dramatic changes in spectral shapes. We propose here a new detailed emissivity code with configuration mixing to allow for a realistic description of complex mid Z plasmas. A collisional radiative calculation. based on HULLAC precise energies and cross sections. determines the populations. Detailed emissivities and opacities are then calculated and radiative transfer equation is resolved for wide inhomogeneous plasmas. This code is able to cope rapidly with very large amount of atomic data. It is therefore possible to use complex hydrodynamic files even on personal computers in a very limited time. We used this code for comparison with Xenon EUV sources within the framework of nano-lithography developments. It appears that configurations mixing strongly shifts satellite lines and must be included in the description of these sources to enhance their efficiency. (author)

  19. Relativistic Effects on Reflection X-ray Spectra of AGN

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Khee-Gan; /University Coll. London; Fuerst, Steven V.; /KIPAC, Menlo Park; Brandwardi-Raymond, Graziella; Wu, Kinwah; Crowley, Oliver; /University Coll. London

    2007-01-05

    We have calculated the reflection component of the X-ray spectra of active galactic nuclei (AGN) and shown that they can be significantly modified by the relativistic motion of the accretion flow and various gravitational effects of the central black hole. The absorption edges in the reflection spectra suffer severe energy shifts and smearing. The degree of distortion depends on the system parameters, and the dependence is stronger for some parameters such as the inner radius of the accretion disk and the disk viewing inclination angles. The relativistic effects are significant and are observable. Improper treatment of the reflection component of the X-ray continuum in spectral fittings will give rise to spurious line-like features, which will mimic the fluorescent emission lines and mask the relativistic signatures of the lines.

  20. Sarma phase in relativistic and non-relativistic systems

    Directory of Open Access Journals (Sweden)

    I. Boettcher

    2015-03-01

    Full Text Available We investigate the stability of the Sarma phase in two-component fermion systems in three spatial dimensions. For this purpose we compare strongly-correlated systems with either relativistic or non-relativistic dispersion relation: relativistic quarks and mesons at finite isospin density and spin-imbalanced ultracold Fermi gases. Using a Functional Renormalization Group approach, we resolve fluctuation effects onto the corresponding phase diagrams beyond the mean-field approximation. We find that fluctuations induce a second-order phase transition at zero temperature, and thus a Sarma phase, in the relativistic setup for large isospin chemical potential. This motivates the investigation of the cold atoms setup with comparable mean-field phase structure, where the Sarma phase could then be realized in experiment. However, for the non-relativistic system we find the stability region of the Sarma phase to be smaller than the one predicted from mean-field theory. It is limited to the BEC side of the phase diagram, and the unitary Fermi gas does not support a Sarma phase at zero temperature. Finally, we propose an ultracold quantum gas with four fermion species that has a good chance to realize a zero-temperature Sarma phase.

  1. Conjugate Observations of EMIC Waves and Precipitation of Relativistic Electrons

    Science.gov (United States)

    Wang, Dedong; Shprits, Yuri; Yuan, Zhigang; Yu, Xiongdong; Huang, Shiyong

    2017-04-01

    Utilizing data from NOAA Geostationary Operational Environmental Satellite (GOES)-12 and low-altitude Polar Orbiting Environmental Satellites (POES)-15, a well-conjugate observation of Electromagnetic Ion Cyclotron (EMIC) waves and precipitation of ring current ions and relativistic electrons is reported. This event took place in periods without geomagnetic storms at near 21:30 on June 19, 2008. During this interval, GOES-12 observed EMIC waves at geosynchronous orbit in dusk Magnetic Local Time (MLT) sector. Conjugately, low-altitude NOAA POES-15 observed precipitation of ring current ions and relativistic electrons. To our knowledge, this is the best conjugated observation from satellites to illustrate EMIC wave-driven Relativistic Electron Precipitation (REP) in the MLT dusk sector during non-storm periods. The REP was observed by POES-15 at the same L (the radial distance in the equatorial plane under dipolar geomagnetic model) and MLT as where EMIC waves were observed by GOES-12, and the projections along the geomagnetic field line of NOAA GOES-12 and POES-15 at the altitude of 100 km above the Earth are nearly at the same geomagnetic latitude and longitude (△MLAT 0.7°, △MLong 0.6°). The diffusion coefficients of relativistic electrons by the EMIC waves are also calculated. This event suggests that, during the periods without geomagnetic storms, EMIC waves can also cause the loss of ring current ions and relativistic electrons through pitch-angle scattering in the dusk sector.

  2. Towards Understanding the Physics of Collisionless Relativistic Shocks. Relativistic Collisionless Shocks

    Science.gov (United States)

    Pelletier, Guy; Bykov, Andrei; Ellison, Don; Lemoine, Martin

    2017-07-01

    Relativistic astrophysical collisionless shocks represent outstanding dissipation agents of the huge power of relativistic outflows produced by accreting black holes, core collapsed supernovae and other objects into multi-messenger radiation (cosmic rays, neutrinos, electromagnetic radiation). This article provides a theoretical discussion of the fundamental physical ingredients of these extreme phenomena. In the context of weakly magnetized shocks, in particular, it is shown how the filamentation type instabilities, which develop in the precursor of pair dominated or electron-ion shocks, provide the seeds for the scattering of high energy particles as well as the agent which preheats and slows down the incoming precursor plasma. This analytical discussion is completed with a mesoscopic, non-linear model of particle acceleration in relativistic shocks based on Monte Carlo techniques. This Monte Carlo model uses a semi-phenomenological description of particle scattering which allows it to calculate the back-reaction of accelerated particles on the shock structure on length and momentum scales which are currently beyond the range of microscopic particle-in-cell (PIC) simulations.

  3. Relativistic quantum mechanics wave equations

    CERN Document Server

    Greiner, Walter

    1990-01-01

    Relativistic Quantum Mechanics - Wave Equations concentrates mainly on the wave equations for spin-0 and spin-12 particles Chapter 1 deals with the Klein-Gordon equation and its properties and applications The chapters that follow introduce the Dirac equation, investigate its covariance properties and present various approaches to obtaining solutions Numerous applications are discussed in detail, including the two-center Dirac equation, hole theory, CPT symmetry, Klein's paradox, and relativistic symmetry principles Chapter 15 presents the relativistic wave equations for higher spin (Proca, Rarita-Schwinger, and Bargmann-Wigner) The extensive presentation of the mathematical tools and the 62 worked examples and problems make this a unique text for an advanced quantum mechanics course

  4. Non-Relativistic Superstring Theories

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Bom Soo

    2007-12-14

    We construct a supersymmetric version of the 'critical' non-relativistic bosonic string theory [1] with its manifest global symmetry. We introduce the anticommuting bc CFT which is the super partner of the {beta}{gamma} CFT. The conformal weights of the b and c fields are both 1/2. The action of the fermionic sector can be transformed into that of the relativistic superstring theory. We explicitly quantize the theory with manifest SO(8) symmetry and find that the spectrum is similar to that of Type IIB superstring theory. There is one notable difference: the fermions are non-chiral. We further consider 'noncritical' generalizations of the supersymmetric theory using the superspace formulation. There is an infinite range of possible string theories similar to the supercritical string theories. We comment on the connection between the critical non-relativistic string theory and the lightlike Linear Dilaton theory.

  5. Relativistic EOS for supernova simulations

    Directory of Open Access Journals (Sweden)

    Shen H.

    2014-03-01

    Full Text Available We study the relativistic equation of state (EOS of dense matter covering a wide range of temperature, proton fraction, and baryon density for the use of supernova simulations. This work is based on the relativistic mean-field theory (RMF and the Thomas-Fermi approximation. The Thomas-Fermi approximation in combination with assumed nucleon distribution functions and a free energy minimization is adopted to describe the non-uniform matter, which is composed of a lattice of heavy nuclei. We treat the uniform matter and non-uniform matter consistently using the same RMF theory. We compare the EOS tables in detail.

  6. Frontiers in relativistic celestial mechanics

    CERN Document Server

    2014-01-01

    Relativistic celestial mechanics – investigating the motion celestial bodies under the influence of general relativity – is a major tool of modern experimental gravitational physics. With a wide range of prominent authors from the field, this two-volume series consists of reviews on a multitude of advanced topics in the area of relativistic celestial mechanics – starting from more classical topics such as the regime of asymptotically-flat spacetime, light propagation and celestial ephemerides, but also including its role in cosmology and alternative theories of gravity as well as modern experiments in this area.

  7. Electron correlation within the relativistic no-pair approximation

    DEFF Research Database (Denmark)

    Almoukhalalati, Adel; Knecht, Stefan; Jensen, Hans Jørgen Aa

    2016-01-01

    This paper addresses the definition of correlation energy within 4-component relativistic atomic and molecular calculations. In the nonrelativistic domain the correlation energy is defined as the difference between the exact eigenvalue of the electronic Hamiltonian and the Hartree-Fock energy...... electronic Hamiltonian, the Dirac-Coulomb Hamiltonian, has no bound solutions. Present-day relativistic calculations are carried out within the no-pair approximation, where the Dirac-Coulomb Hamiltonian is embedded by projectors eliminating the troublesome negative-energy solutions. Hartree-Fock calculations...... are carried out with the implicit use of such projectors and only positive-energy orbitals are retained at the correlated level, meaning that the Hartree-Fock projectors are frozen at the correlated level. We argue that the projection operators should be optimized also at the correlated level...

  8. Transport models for relativistic heavy-ion collisions at Relativistic ...

    Indian Academy of Sciences (India)

    Abstract. We review the transport models that are widely used to study the properties of the quark-gluon plasma formed in relativistic heavy-ion collisions at RHIC and LHC. We show that transport model analysis of two important and complementary observables, the anisotropic flow of bulk hadrons and suppression of ...

  9. Strong-coupling diffusion in relativistic systems

    Indian Academy of Sciences (India)

    Relativistic heavy-ion collisions; fluctuation phenomena; relativistic diffusion model; net-proton rapidly ... cients on the available relativistic energy, results at 40 A•GeV/c are obtained. Extrapolat- ing to higher ... proached for times t ^τs larger than the time τs that is characteristic for strong coupling. – when all secondary ...

  10. Angular Dependence of Strong Field Ionization of CH3X (X = F, Cl, Br, or I) Using Time-Dependent Configuration Interaction with an Absorbing Potential.

    Science.gov (United States)

    Hoerner, Paul; Schlegel, H Bernhard

    2017-08-10

    Methyl halides have been used to test basis set effects on simulations of strong field ionization using time dependent configuration interaction with an absorbing potential. Standard atom centered basis sets need to be augmented by several sets of diffuse functions on each atom so that the wave function in the strong field can interact with the absorbing potential used to model ionization. An absorbing basis of 3 s functions, 2 p functions, 3 d functions, and 1 f function is sufficient for CH3F. Large absorbing basis sets with 4 s functions, 3 or 4 p functions, 4 or 5 d functions, and 2 f functions are recommended for the heavier halogens. The simulations used static fields in the 0.035-0.07 au range to explore the angular dependence of ionization of methyl halides. CH3F ionizes mainly from the methyl group; CH3Cl and CH3Br show ionization from both the methyl group and the halogen, and CH3I ionizes almost exclusively from the pπ orbitals of the iodine.

  11. Relativistic theory of the falling retroreflector gravimeter

    Science.gov (United States)

    Ashby, Neil

    2018-02-01

    We develop a relativistic treatment of interference between light reflected from a falling cube retroreflector in the vertical arm of an interferometer, and light in a reference beam in the horizontal arm. Coordinates that are nearly Minkowskian, attached to the falling cube, are used to describe the propagation of light within the cube. Relativistic effects such as the dependence of the coordinate speed of light on gravitational potential, propagation of light along null geodesics, relativity of simultaneity, and Lorentz contraction of the moving cube, are accounted for. The calculation is carried to first order in the gradient of the acceleration of gravity. Analysis of data from a falling cube gravimeter shows that the propagation time of light within the cube itself causes a significant reduction in the value of the acceleration of gravity obtained from measurements, compared to assuming reflection occurs at the face. An expression for the correction to g is derived and found to agree with experiment. Depending on the instrument, the correction can be several microgals, comparable to commonly applied corrections such as those due to polar motion and earth tides. The controversial ‘speed of light’ correction is discussed. Work of the US government, not subject to copyright.

  12. The relativistic feedback discharge model of terrestrial gamma ray flashes

    Science.gov (United States)

    Dwyer, Joseph R.

    2012-02-01

    As thunderclouds charge, the large-scale fields may approach the relativistic feedback threshold, above which the production of relativistic runaway electron avalanches becomes self-sustaining through the generation of backward propagating runaway positrons and backscattered X-rays. Positive intracloud (IC) lightning may force the large-scale electric fields inside thunderclouds above the relativistic feedback threshold, causing the number of runaway electrons, and the resulting X-ray and gamma ray emission, to grow exponentially, producing very large fluxes of energetic radiation. As the flux of runaway electrons increases, ionization eventually causes the electric field to discharge, bringing the field below the relativistic feedback threshold again and reducing the flux of runaway electrons. These processes are investigated with a new model that includes the production, propagation, diffusion, and avalanche multiplication of runaway electrons; the production and propagation of X-rays and gamma rays; and the production, propagation, and annihilation of runaway positrons. In this model, referred to as the relativistic feedback discharge model, the large-scale electric fields are calculated self-consistently from the charge motion of the drifting low-energy electrons and ions, produced from the ionization of air by the runaway electrons, including two- and three-body attachment and recombination. Simulation results show that when relativistic feedback is considered, bright gamma ray flashes are a natural consequence of upward +IC lightning propagating in large-scale thundercloud fields. Furthermore, these flashes have the same time structures, including both single and multiple pulses, intensities, angular distributions, current moments, and energy spectra as terrestrial gamma ray flashes, and produce large current moments that should be observable in radio waves.

  13. CONSERVING RELATIVISTIC MANY-BODY APPROACH - EQUATION OF STATE, SPECTRAL-FUNCTION, AND OCCUPATION PROBABILITIES OF NUCLEAR-MATTER

    NARCIS (Netherlands)

    DEJONG, F; MALFLIET, R

    Starting from a relativistic Lagrangian we derive a "conserving" approximation for the description of nuclear matter. We show this to be a nontrivial extension over the relativistic Dirac-Brueckner scheme. The saturation point of the equation of state calculated agrees very well with the empirical

  14. Coupled cluster calculations of mean excitation energies of the noble gas atoms He, Ne and Ar and of the H2 molecule

    Science.gov (United States)

    Sauer, Stephan P. A.; Haq, Inam Ul; Sabin, John R.; Oddershede, Jens; Christiansen, Ove; Coriani, Sonia

    2014-03-01

    Using an asymmetric Lanczos chain algorithm for the calculation of the coupled cluster linear response functions at the coupled cluster singles and doubles (CCSD) and coupled cluster singles and approximate iterative doubles (CC2) levels of approximation, we have calculated the mean excitation energies of the noble gases He, Ne and Ar, and of the hydrogen molecule (H2). Convergence with respect to the one-electron basis set was investigated in detail for families of correlation-consistent basis sets including both augmentation and core-valence functions. We find that the electron correlation effects at the CCSD level change the mean excitation energies obtained at the uncorrelated Hartree-Fock level by about 1%. For the two-electron systems He and H2, our CCSD results (for a Lanczos chain length equal to the full excitation space), I0 = 42.28 eV (helium) and I0 = 19.62 eV (H2), correspond to full configuration interaction results and are therefore the exact, non-relativistic theoretical values for the mean excitation energy of these two systems within the Bethe theory for the chosen basis set and, in the case of H2, at the experimental equilibrium geometry.

  15. Future relativistic heavy ion experiments

    Energy Technology Data Exchange (ETDEWEB)

    Pugh, H.G.

    1980-12-01

    Equations of state for nuclear matter and ongoing experimental studies are discussed. Relativistic heavy ion physics is the only opportunity to study in the laboratory the properties of extended multiquark systems under conditions such that quarks might run together into new arrangements previously unobserved. Several lines of further study are mentioned. (GHT)

  16. Revisiting non-relativistic limits

    Energy Technology Data Exchange (ETDEWEB)

    Jensen, Kristan [C.N. Yang Institute for Theoretical Physics, SUNY Stony Brook,Stony Brook, NY 11794-3840 (United States); Karch, Andreas [Department of Physics, University of Washington,Seattle, WA 98195 (United States)

    2015-04-28

    We show that the full spurionic symmetry of Galilean-invariant field theories can be deduced when those theories are the limits of relativistic parents. Under the limit, the non-relativistic daughter couples to Newton-Cartan geometry together with all of the symmetries advocated in previous work, including the recently revived Milne boosts. Our limit is a covariant version of the usual one, where we start with a gapped relativistic theory with a conserved charge, turn on a chemical potential equal to the rest mass of the lightest charged state, and then zoom in to the low energy sector. This procedure gives a simple physical interpretation for the Milne boosts. Our methods even apply when there is a magnetic moment, which is known to modify the non-relativistic symmetry transformations. We focus on two examples. Free scalars are used to demonstrate the basic procedure, whereas hydrodynamics is used in order to exhibit the power of this approach in a fully dynamical setting, correcting several inaccuracies in the existing literature.

  17. Quasielastic Scattering from Relativistic Bound Nucleons: R{sub TL} Response

    Energy Technology Data Exchange (ETDEWEB)

    J. A. Caballero; E. Moya de Guerra; J. M. Udias; J. E. Amaro; T. W. Donnelly

    1999-12-31

    Predictions of relativistic calculations for electron induced knock-out from the p{sub 1/2} and p{sub 3/2} shells in {sup 16}O are presented. Results for differential cross-section, TL response function and left-right asymmetry are compared to recent (e,e'p) data at Q{sup 2} = 0.8 (GeV/c){sup 2} taken at TJNAF. We show that the trend of the fully relativistic results is closely followed by the experimental data, pointing to the importance of both kinematical and dynamical relativistic effects in the nucleonic current.

  18. Consideration of Relativistic Dynamics in High-Energy Electron Coolers

    CERN Document Server

    Bruhwiler, David L

    2005-01-01

    A proposed electron cooler for RHIC would use ~55 MeV electrons to cool fully-ionized 100 GeV/nucleon gold ions.* At two locations in the collider ring, the electrons and ions will co-propagate for ~13 m, with velocities close to c and gamma>100. To lowest-order, one can Lorentz transform all physical quantities into the beam frame and calculate the dynamical friction forces assuming a nonrelativisitc, electrostatic plasma. However, we show that nonlinear space charge forces of the bunched electron beam on the ions must be calculated relativistically, because an electrostatic beam-frame calculation is not valid for such short interaction times. The validity of nonrelativistic friction force calculations must also be considered. Further, the transverse thermal velocities of the high-charge (~20 nC) electron bunch are large enough that some electrons have marginally relativistic velocities, even in the beam frame. Hence, we consider relativistic binary collisions – treating the model problem of ...

  19. The electronic states of 1,2,4-triazoles: A study of 1H- and1-methyl-1,2,4-triazole by vacuum ultraviolet photoabsorption and ultraviolet photoelectron spectroscopy and a comparison with ab initio configuration interaction computations

    DEFF Research Database (Denmark)

    Palmer, Michael H.; Camp, Philip J.; Hoffmann, Søren Vrønning

    2012-01-01

    The first vacuum ultraviolet absorption spectrum of a 1,2,4-triazole has been obtained and analyzed in detail, with assistance from both an enhanced UV photoelectron spectroscopic study and ab initio multi-reference multi-root configuration interaction procedures. For both 1H- and 1-methyl-1,2,4-...

  20. Relativistic Magnetic Reconnection in Kerr Spacetime.

    Science.gov (United States)

    Asenjo, Felipe A; Comisso, Luca

    2017-02-03

    The magnetic reconnection process is analyzed for relativistic magnetohydrodynamical plasmas around rotating black holes. A simple generalization of the Sweet-Parker model is used as a first approximation to the problem. The reconnection rate, as well as other important properties of the reconnection layer, has been calculated taking into account the effect of spacetime curvature. Azimuthal and radial current sheet configurations in the equatorial plane of the black hole have been studied, and the case of small black hole rotation rate has been analyzed. For the azimuthal configuration, it is found that the black hole rotation decreases the reconnection rate. On the other hand, in the radial configuration, it is the gravitational force created by the black hole mass that decreases the reconnection rate. These results establish a fundamental interaction between gravity and magnetic reconnection in astrophysical contexts.

  1. A measurement of the relativistic rise in xenon-filled ionisation chambers for cosmic ray iron

    Science.gov (United States)

    Gregory, J. C.; Parnell, T. A.

    1980-01-01

    The relativistic rise of ionization in a pair of xenon-filled pulse ion chambers was measured for primary iron nuclei during a recent balloon flight. Energy calibration over the range 21.5-60 GeV/n was made with a Freon-12 gas Cerenkov detector. This allowed a comparison with recent calculations of the relativistic rise in xenon counters and an estimate of the ion chamber resolution above 21.5 GeV/n to be made.

  2. Quantum Geometry: Relativistic energy approach to cooperative electron-nucleary-transition spectrum

    Directory of Open Access Journals (Sweden)

    Ольга Юрьевна Хецелиус

    2014-11-01

    Full Text Available An advanced relativistic energy approach is presented and applied to calculating parameters of electron-nuclear 7-transition spectra of nucleus in the atom. The intensities of the spectral satellites are defined in the relativistic version of the energy approach (S-matrix formalism, and gauge-invariant quantum-electrodynamical perturbation theory with the Dirac-Kohn-Sham density-functional zeroth approximation.

  3. K-Vacancy Production in the Collision of Highly Charged Relativistic Ions With Heavy Atoms

    OpenAIRE

    KHABIBULLAEV, P. K.

    2000-01-01

    A general expression for the cross section of the inelastic collision of relativistic highly charged ion with heavy (relativistic) atoms is obtained using the generalized eikonal approximation. In the ultrarelativistic limit, the obtained formula coincides with a known exact one. As an application of the obtained result, probability and cross section of the K-vacany production in the U92+ - U91+ collision are calculated.

  4. f-Mode instability in relativistic neutron stars.

    Science.gov (United States)

    Gaertig, E; Glampedakis, K; Kokkotas, K D; Zink, B

    2011-09-02

    We present the first calculation of the basic properties of the f-mode instability in rapidly rotating relativistic neutron stars, adopting the Cowling approximation. By accounting for dissipation in neutron star matter, i.e., shear or bulk viscosity and superfluid mutual friction, we calculate the associated instability window. For our specific stellar model, a relativistic polytrope, we obtain a minimum gravitational growth time scale (for the dominant ℓ=m=4 mode) of the order of 10(3)-10(4)  s near the Kepler frequency Ω(K) while the instability is active above ∼0.92  Ω(K) and for temperatures ∼(10(9)-2×10(10))  K, characteristic of newborn neutron stars.

  5. The Controlling Parameters for EMIC Wave Scattering of Relativistic Electrons

    Science.gov (United States)

    Zhang, X.; Li, W.; Ma, Q.; Thorne, R. M.; Angelopoulos, V.; Bortnik, J.

    2016-12-01

    Although there is growing support for relativistic electron losses due to precipitation from electromagnetic ion cyclotron (EMIC) wave scattering, this mechanism is yet to be quantified. Such a quantification has been difficult in the past, because equatorial electron measurements simultaneous with EMIC waves have been limited, due to the highly localized presence of EMIC waves in the magnetosphere. In this study, we examine parameters controlling characteristics of EMIC wave induced relativistic (0.3-6 MeV) electron scattering, directly based on simultaneous wave and particle measurements from Van Allen Probes. We first present a case study when relativistic electrons respond differently during two intervals of intense ( 1 nT) EMIC wave observations: one with no scattering signature and one with efficient electron losses at >1.8 MeV. Based on the observed EMIC wave spectra and background plasma conditions, we calculate the wave diffusion rates and model the evolution of electron pitch angle distributions. By comparing the modeled results with local observations of pitch angle distributions, we demonstrate that fpe/fce is critical in controlling the effectiveness of EMIC waves in scattering multi-MeV electrons. We then expand our analysis to explore the conditions (such as fpe/fce, wave frequency spectra, and ring current ion temperature and anisotropy levels) favorable for EMIC wave scattering multi-MeV electrons through multi-event analyses. Our study is important for accurately modeling relativistic electron loss processes in radiation belt electron forecasts.

  6. Relativistic quantum mechanics an introduction to relativistic quantum fields

    CERN Document Server

    Maiani, Luciano

    2016-01-01

    Written by two of the world's leading experts on particle physics and the standard model - including an award-winning former Director General of CERN - this textbook provides a completely up-to-date account of relativistic quantum mechanics and quantum field theory. It describes the formal and phenomenological aspects of the standard model of particle physics, and is suitable for advanced undergraduate and graduate students studying both theoretical and experimental physics.

  7. High-accuracy calculations of the rotation-vibration spectrum of {{\\rm{H}}}_{3}^{+}

    Science.gov (United States)

    Tennyson, Jonathan; Polyansky, Oleg L.; Zobov, Nikolai F.; Alijah, Alexander; Császár, Attila G.

    2017-12-01

    Calculation of the rotation-vibration spectrum of {{{H}}}3+, as well as of its deuterated isotopologues, with near-spectroscopic accuracy requires the development of sophisticated theoretical models, methods, and codes. The present paper reviews the state-of-the-art in these fields. Computation of rovibrational states on a given potential energy surface (PES) has now become standard for triatomic molecules, at least up to intermediate energies, due to developments achieved by the present authors and others. However, highly accurate Born–Oppenheimer energies leading to highly accurate PESs are not accessible even for this two-electron system using conventional electronic structure procedures (e.g. configuration-interaction or coupled-cluster techniques with extrapolation to the complete (atom-centered Gaussian) basis set limit). For this purpose, highly specialized techniques must be used, e.g. those employing explicitly correlated Gaussians and nonlinear parameter optimizations. It has also become evident that a very dense grid of ab initio points is required to obtain reliable representations of the computed points extending from the minimum to the asymptotic limits. Furthermore, adiabatic, relativistic, and quantum electrodynamic correction terms need to be considered to achieve near-spectroscopic accuracy during calculation of the rotation-vibration spectrum of {{{H}}}3+. The remaining and most intractable problem is then the treatment of the effects of non-adiabatic coupling on the rovibrational energies, which, in the worst cases, may lead to corrections on the order of several cm‑1. A promising way of handling this difficulty is the further development of effective, motion- or even coordinate-dependent, masses and mass surfaces. Finally, the unresolved challenge of how to describe and elucidate the experimental pre-dissociation spectra of {{{H}}}3+ and its isotopologues is discussed.

  8. Diffraction radiation from relativistic particles

    CERN Document Server

    Potylitsyn, Alexander Petrovich; Strikhanov, Mikhail Nikolaevich; Tishchenko, Alexey Alexandrovich

    2010-01-01

    This book deals with diffraction radiation, which implies the boundary problems of electromagnetic radiation theory. Diffraction radiation is generated when a charged particle moves in a vacuum near a target edge. Diffraction radiation of non-relativistic particles is widely used to design intense emitters in the cm wavelength range. Diffraction radiation from relativistic charged particles is important for noninvasive beam diagnostics and design of free electron lasers based on Smith-Purcell radiation which is diffraction radiation from periodic structures. Different analytical models of diffraction radiation and results of recent experimental studies are presented in this book. The book may also serve as guide to classical electrodynamics applications in beam physics and electrodynamics. It can be of great use for young researchers to develop skills and for experienced scientists to obtain new results.

  9. Kinetic approach to relativistic dissipation

    Science.gov (United States)

    Gabbana, A.; Mendoza, M.; Succi, S.; Tripiccione, R.

    2017-08-01

    Despite a long record of intense effort, the basic mechanisms by which dissipation emerges from the microscopic dynamics of a relativistic fluid still elude complete understanding. In particular, several details must still be finalized in the pathway from kinetic theory to hydrodynamics mainly in the derivation of the values of the transport coefficients. In this paper, we approach the problem by matching data from lattice-kinetic simulations with analytical predictions. Our numerical results provide neat evidence in favor of the Chapman-Enskog [The Mathematical Theory of Non-Uniform Gases, 3rd ed. (Cambridge University Press, Cambridge, U.K., 1970)] procedure as suggested by recent theoretical analyses along with qualitative hints at the basic reasons why the Chapman-Enskog expansion might be better suited than Grad's method [Commun. Pure Appl. Math. 2, 331 (1949), 10.1002/cpa.3160020403] to capture the emergence of dissipative effects in relativistic fluids.

  10. Relativistic electron beams above thunderclouds

    DEFF Research Database (Denmark)

    Füellekrug, M.; Roussel-Dupre, R.; Symbalisty, E. M. D.

    2011-01-01

    Non-luminous relativistic electron beams above thunderclouds have been detected by the radio signals of low frequency similar to 40-400 kHz which they radiate. The electron beams occur similar to 2-9 ms after positive cloud-to-ground lightning discharges at heights between similar to 22-72 km above...... thunderclouds. Intense positive lightning discharges can also cause sprites which occur either above or prior to the electron beam. One electron beam was detected without any luminous sprite which suggests that electron beams may also occur independently of sprites. Numerical simulations show that beams...... of electrons partially discharge the lightning electric field above thunderclouds and thereby gain a mean energy of similar to 7MeV to transport a total charge of similar to-10mC upwards. The impulsive current similar to 3 x 10(-3) Am-2 associated with relativistic electron beams above thunderclouds...

  11. Relativistic stars in bigravity theory

    CERN Document Server

    Aoki, Katsuki; Tanabe, Makoto

    2016-01-01

    Assuming static and spherically symmetric spacetimes in the ghost-free bigravity theory, we find a relativistic star solution, which is very close to that in general relativity. The coupling constants are classified into two classes: Class [I] and Class [II]. Although the Vainshtein screening mechanism is found in the weak gravitational field for both classes, we find that there is no regular solution beyond the critical value of the compactness in Class [I]. This implies that the maximum mass of a neutron star in Class [I] becomes much smaller than that in GR. On the other hand, for the solution in Class [II], the Vainshtein screening mechanism works well even in a relativistic star and the result in GR is recovered.

  12. Special vortex in relativistic hydrodynamics

    Science.gov (United States)

    Chupakhin, A. P.; Yanchenko, A. A.

    2017-10-01

    An exact solution of the Euler equations governing the flow of a compressible fluid in relativistic hydrodynamics is found and studied. It is a relativistic analogue of the Ovsyannikov vortex (special vortex) investigated earlier for classical gas dynamics. Solutions are partially invariant of Defect 1 and Rank 2 with respect to the rotation group. A theorem on the representation of the factor-system in the form of a union of a non-invariant subsystem for the function determining the deviation of the velocity vector from the meridian, and invariant subsystem for determination of thermodynamic parameters, the Lorentz factor and the radial velocity component is proved. Compatibility conditions for the overdetermined non-invariant subsystem are obtained. A stationary solution of this type is studied in detail. It is proved that its invariant subsystem reduces to an implicit differential equation. For this equation, the manifold of branching of solutions is investigated, and a set of singular points is found.

  13. Towards a relativistic statistical theory

    Science.gov (United States)

    Kaniadakis, G.

    2006-06-01

    In special relativity the mathematical expressions, defining physical observables as the momentum, the energy etc. emerge as one parameter (light speed) continuous deformations of the corresponding ones of the classical physics. Here, we show that the special relativity imposes a proper one parameter continuous deformation also to the expression of the classical Boltzmann-Gibbs-Shannon entropy. The obtained relativistic entropy permits to construct a coherent and selfconsistent relativistic statistical theory [G. Kaniadakis, Phys. Rev. E 66 (2002) 056125; G. Kaniadakis, Phys. Rev. E 72 (2005) 036108], preserving the main features (maximum entropy principle, thermodynamic stability, Lesche stability, continuity, symmetry, expansivity, decisivity, etc.) of the classical statistical theory, which is recovered in the classical limit. The predicted distribution function is a one-parameter continuous deformation of the classical Maxwell-Boltzmann distribution and has a simple analytic form, showing power-law tails in accordance with the experimental evidence.

  14. Relativistic gravitational deflection of photons

    CERN Document Server

    Saca, J M

    2002-01-01

    A relativistic analysis of the deflection of a light ray due to a massive attractive centre is here developed by solving a differential equation of the orbit of photons. Results are compared with a widely known approximate formula for the deflection obtained by Einstein in 1916. Finally, it is concluded that the results here obtained, although very close to Einstein's values, could stand out as a conclusive reference for comparison with future direct measurements of the deflection.

  15. Relativistic approach to electromagnetic imaging

    OpenAIRE

    Budko, Neil

    2004-01-01

    A novel imaging principle based on the interaction of electromagnetic waves with a beam of relativistic electrons is proposed. Wave-particle interaction is assumed to take place in a small spatial domain, so that each electron is only briefly accelerated by the incident field. In the one-dimensional case the spatial distribution of the source density can be directly observed in the temporal spectrum of the scattered field. Whereas, in the two-dimensional case the relation between the source a...

  16. Pythagoras Theorem and Relativistic Kinematics

    Science.gov (United States)

    Mulaj, Zenun; Dhoqina, Polikron

    2010-01-01

    In two inertial frames that move in a particular direction, may be registered a light signal that propagates in an angle with this direction. Applying Pythagoras theorem and principles of STR in both systems, we can derive all relativistic kinematics relations like the relativity of simultaneity of events, of the time interval, of the length of objects, of the velocity of the material point, Lorentz transformations, Doppler effect and stellar aberration.

  17. Intense Relativistic Electron Beam Investigations

    Science.gov (United States)

    1979-04-01

    dif- fusion pump furnished with the electron beam machine was sized to hold vacuum rathcr thani to ,achieve rapid pump down, we were limited to 2 or...camera and lasers as well as providing an advance synchronized trigger pulse to the oscilloscopes. Since this water filled spark gap switch initiates...Equipment Source NRL 0.5 XeV 7 ohm relativistic "electron beam machine Government furnished Capacitor bank and magnetic field solenoid 4’ long with

  18. A special relativistic heat engine

    Directory of Open Access Journals (Sweden)

    William S. Cariens

    1983-01-01

    main concepts taken from themodynamics and special relativity are those of a heat engine and E=mc2 respectively. Central to understanding the operation of this relativistic heat engine is the fact that upon heating a mass, its rest mass increases! This concept is nonexistent in classical thermodynamics. An increase in rest mass means that both the internal energy of a mass and its macroscopic kinetic energy increase!!!

  19. Radiation reaction and relativistic hydrodynamics.

    Science.gov (United States)

    Berezhiani, V I; Hazeltine, R D; Mahajan, S M

    2004-05-01

    By invoking the radiation reaction force, first perturbatively derived by Landau and Lifschitz, and later shown by Rohrlich to be exact for a single particle, we construct a set of fluid equations obeyed by a relativistic plasma interacting with the radiation field. After showing that this approach reproduces the known results for a locally Maxwellian plasma, we derive and display the basic dynamical equations for a general magnetized plasma in which the radiation reaction force augments the direct Lorentz force.

  20. Relativistic Binaries in Globular Clusters

    Directory of Open Access Journals (Sweden)

    Benacquista Matthew J.

    2006-02-01

    Full Text Available The galactic population of globular clusters are old, dense star systems, with a typical cluster containing 10^4 - 10^7 stars. As an old population of stars, globular clusters contain many collapsed and degenerate objects. As a dense population of stars, globular clusters are the scene of many interesting close dynamical interactions between stars. These dynamical interactions can alter the evolution of individual stars and can produce tight binary systems containing one or two compact objects. In this review, we discuss the theoretical models of globular cluster evolution and binary evolution, techniques for simulating this evolution which lead to relativistic binaries, and current and possible future observational evidence for this population. Globular cluster evolution will focus on the properties that boost the production of hard binary systems and on the tidal interactions of the galaxy with the cluster, which tend to alter the structure of the globular cluster with time. The interaction of the components of hard binary systems alters the evolution of both bodies and can lead to exotic objects. Direct N-body integrations and Fokker-Planck simulations of the evolution of globular clusters that incorporate tidal interactions and lead to predictions of relativistic binary populations are also discussed. We discuss the current observational evidence for cataclysmic variables, millisecond pulsars, and low-mass X-ray binaries as well as possible future detection of relativistic binaries with gravitational radiation.

  1. Relativistic Binaries in Globular Clusters

    Directory of Open Access Journals (Sweden)

    Benacquista Matthew

    2002-01-01

    Full Text Available The galactic population of globular clusters are old, dense star systems, with a typical cluster containing $10^4 - 10^6$ stars. As an old population of stars, globular clusters contain many collapsed and degenerate objects. As a dense population of stars, globular clusters are the scene of many interesting close dynamical interactions between stars. These dynamical interactions can alter the evolution of individual stars and can produce tight binary systems containing one or two compact objects. In this review, we discuss the theoretical models of globular cluster evolution and binary evolution, techniques for simulating this evolution which lead to relativistic binaries, and current and possible future observational evidence for this population. Globular cluster evolution will focus on the properties that boost the production of hard binary systems and on the tidal interactions of the galaxy with the cluster, which tend to alter the structure of the globular cluster with time. The interaction of the components of hard binary systems alters the evolution of both bodies and can lead to exotic objects. Direct $N$-body integrations and Fokker--Planck simulations of the evolution of globular clusters that incorporate tidal interactions and lead to predictions of relativistic binary populations are also discussed. We discuss the current observational evidence for cataclysmic variables, millisecond pulsars, and low-mass X-ray binaries as well as possible future detection of relativistic binaries with gravitational radiation.

  2. Relativistic Binaries in Globular Clusters

    Directory of Open Access Journals (Sweden)

    Matthew J. Benacquista

    2013-03-01

    Full Text Available Galactic globular clusters are old, dense star systems typically containing 10^4 – 10^6 stars. As an old population of stars, globular clusters contain many collapsed and degenerate objects. As a dense population of stars, globular clusters are the scene of many interesting close dynamical interactions between stars. These dynamical interactions can alter the evolution of individual stars and can produce tight binary systems containing one or two compact objects. In this review, we discuss theoretical models of globular cluster evolution and binary evolution, techniques for simulating this evolution that leads to relativistic binaries, and current and possible future observational evidence for this population. Our discussion of globular cluster evolution will focus on the processes that boost the production of tight binary systems and the subsequent interaction of these binaries that can alter the properties of both bodies and can lead to exotic objects. Direct N-body integrations and Fokker–Planck simulations of the evolution of globular clusters that incorporate tidal interactions and lead to predictions of relativistic binary populations are also discussed. We discuss the current observational evidence for cataclysmic variables, millisecond pulsars, and low-mass X-ray binaries as well as possible future detection of relativistic binaries with gravitational radiation.

  3. Two-stream-like Instability in Dilute Hot Relativistic Beams and Astrophysical Relativistic Shocks

    Science.gov (United States)

    Nakar, Ehud; Bret, Antoine; Milosavljević, Miloš

    2011-09-01

    Relativistic collisionless shocks are believed to be efficient particle accelerators. Nonlinear outcome of the interaction of accelerated particles that run ahead of the shock, the so-called precursor, with the unperturbed plasma of the shock upstream, is thought to facilitate additional acceleration of these particles and to possibly modify the hydrodynamic structure of the shock. We explore here the linear growth of kinetic modes appearing in the precursor-upstream interaction in relativistic shocks propagating in non- and weakly magnetized plasmas: electrostatic two-stream parallel mode and electrostatic oblique modes. The physics of the parallel and oblique modes is similar, and thus, we refer to the entire spectrum of electrostatic modes as "two-stream-like." These modes are of particular interest because they are the fastest growing modes known in this type of system. Using a simplified distribution function for a dilute ultrarelativistic beam that is relativistically hot in its own rest frame, yet has momenta that are narrowly collimated in the frame of the cold upstream plasma into which it propagates, we identify the fastest growing mode in the full k-space and calculate its growth rate. We consider all types of plasma (pairs and ions-electrons) and beam (charged and charge-neutral). We find that unstable electrostatic modes are present in any type of plasma and for any shock parameters. We further find that two modes, one parallel (k bottom = 0) and the other one oblique (k_\\bot \\sim k_\\Vert), are competing for dominance and that either one may dominate the growth rate in different regions of the phase space. The dominant mode is determined mostly by the perpendicular spread of the accelerated particle momenta in the upstream frame, which reflects the shock Lorentz factor. The parallel mode becomes more dominant in shocks with lower Lorentz factors (i.e., with larger momentum spreads). We briefly discuss possible implications of our results for

  4. Radiation Hazard of Relativistic Interstellar Flight

    OpenAIRE

    Semyonov, Oleg G.

    2006-01-01

    From the point of view of radiation safety, interstellar space is not an empty void. Interstellar gas and cosmic rays, which consist of hydrogen and helium nucleons, present a severe radiation hazard to crew and electronics aboard a relativistic interstellar ship. Of the two, the oncoming relativistic flow of interstellar gas produces the most intence radiation. A protection shield will be needed to block relativistic interstellar gas that can also absorb most of the cosmic rays which, as a r...

  5. Reaction cross sections of proton scattering from carbon isotopes (A=8-22) by means of the relativistic impulse approximation

    Science.gov (United States)

    Kaki, Kaori

    2017-09-01

    Reaction cross sections of carbon isotopes for proton scattering are calculated in a large energy region. Density distributions of carbon isotopes are obtained from relativistic mean-field results. Calculations are based on the relativistic impulse approximation, and results are compared with experimental data. A strong relationship between reaction cross section and root-mean-square radius is clearly shown for ^{12}C using a model distribution.

  6. Gauge invariance and relativistic effects in X-ray absorption and scattering by solids

    Science.gov (United States)

    Bouldi, Nadejda; Brouder, Christian

    2017-12-01

    There is an incompatibility between gauge invariance and the semi-classical time-dependent perturbation theory commonly used to calculate light absorption and scattering cross-sections. There is an additional incompatibility between perturbation theory and the description of the electron dynamics by a semi-relativistic Hamiltonian. In this paper, the gauge-dependence problem of exact perturbation theory is described, the proposed solutions are reviewed and it is concluded that none of them seems fully satisfactory. The problem is finally solved by using the fully relativistic absorption and scattering cross-sections given by quantum electrodynamics. Then, a new general Foldy-Wouthuysen transformation is presented. It is applied to the many-body case to obtain correct semi-relativistic transition operators. This transformation considerably simplifies the calculation of relativistic corrections. In the process, a new light-matter interaction term emerges, called the spin-position interaction, that contributes significantly to the magnetic X-ray circular dichroism of transition metals. We compare our result with the ones obtained by using several semi-relativistic time-dependent Hamiltonians. In the case of absorption, the final formula agrees with the result obtained from one of them. However, the correct scattering cross-section is not given by any of the semi-relativistic Hamiltonians.

  7. Towards an exact relativistic theory of Earth's geoid undulation

    Energy Technology Data Exchange (ETDEWEB)

    Kopeikin, Sergei M., E-mail: kopeikins@missouri.edu [Department of Physics & Astronomy, University of Missouri, Columbia, MO 65211 (United States); Siberian State Geodetic Academy, 10 Plakhotny St., Novosibirsk 630108 (Russian Federation); Mazurova, Elena M., E-mail: e_mazurova@mail.ru [Moscow State University of Geodesy and Cartography, 4 Gorokhovsky Alley, Moscow 105064 (Russian Federation); Siberian State Geodetic Academy, 10 Plakhotny St., Novosibirsk 630108 (Russian Federation); Karpik, Alexander P., E-mail: rector@ssga.ru [Siberian State Geodetic Academy, 10 Plakhotny St., Novosibirsk 630108 (Russian Federation)

    2015-08-14

    The present paper extends the Newtonian concept of the geoid in classic geodesy towards the realm of general relativity by utilizing the covariant geometric methods of the perturbation theory of curved manifolds. It yields a covariant definition of the anomalous (disturbing) gravity potential and formulates differential equation for it in the form of a covariant Laplace equation. The paper also derives the Bruns equation for calculation of geoid's height with full account for relativistic effects beyond the Newtonian approximation. A brief discussion of the relativistic Bruns formula is provided. - Highlights: • We apply general relativity to define the exact concept of relativistic geoid. • We derive relativistic equation of geoid and the reference level surface. • We employ the manifold perturbation theory to discuss geoid's undulation.

  8. 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.

  9. Relativistic continuum random phase approximation in spherical nuclei

    Energy Technology Data Exchange (ETDEWEB)

    Daoutidis, Ioannis

    2009-10-01

    Covariant density functional theory is used to analyze the nuclear response in the external multipole fields. The investigations are based on modern functionals with zero range and density dependent coupling constants. After a self-consistent solution of the Relativistic Mean Field (RMF) equations for the nuclear ground states multipole giant resonances are studied within the Relativistic Random Phase Approximation (RRPA), the small amplitude limit of the time-dependent RMF. The coupling to the continuum is treated precisely by calculating the single particle Greens-function of the corresponding Dirac equation. In conventional methods based on a discretization of the continuum this was not possible. The residual interaction is derived from the same RMF Lagrangian. This guarantees current conservation and a precise decoupling of the Goldstone modes. For nuclei with open shells pairing correlations are taken into account in the framework of BCS theory and relativistic quasiparticle RPA. Continuum RPA (CRPA) presents a robust method connected with an astonishing reduction of the numerical effort as compared to conventional methods. Modes of various multipolarities and isospin are investigated, in particular also the newly discovered Pygmy modes in the vicinity of the neutron evaporation threshold. The results are compared with conventional discrete RPA calculations as well as with experimental data. We find that the full treatment of the continuum is essential for light nuclei and the study of resonances in the neighborhood of the threshold. (orig.)

  10. Direct variational determination of the two-electron reduced density matrix for doubly occupied-configuration-interaction wave functions: The influence of three-index N-representability conditions.

    Science.gov (United States)

    Alcoba, Diego R; Torre, Alicia; Lain, Luis; Massaccesi, Gustavo E; Oña, Ofelia B; Honoré, Eduardo M; Poelmans, Ward; Van Neck, Dimitri; Bultinck, Patrick; De Baerdemacker, Stijn

    2018-01-14

    This work proposes the variational determination of two-electron reduced density matrices corresponding to the ground state of N-electron systems within the doubly occupied-configuration-interaction methodology. The P, Q, and G two-index N-representability conditions have been extended to the T1 and T2 (T2') three-index ones and the resulting optimization problem has been addressed using a standard semidefinite program. We report results obtained from the doubly occupied-configuration-interaction method, from the two-index constraint variational procedure and from the two- and three-index constraint variational treatment. The discussion of these results along with a study of the computational cost demanded shows the usefulness of our proposal.

  11. Neutron star properties derived from relativistic mean field

    CERN Document Server

    Beták, E; Urbanec, M

    2010-01-01

    The equation of state of asymmetric nuclear matter given by the parameterized form of the relativistic Brueckner-Hartree-Fock mean field with vector cross interaction is applied to construct spherically symmetric neutron star models. The masses and radii of the models are given as functions of the central energy density and compared with astrophysical data. The calculated radii appear to be confined to a narrow band between 12 and 13 km, nearly independent of the calculated masses. Our models are in agreement with known data and the ones with vector cross interaction cope well with the recent limitations imposed by the double pulsar J0737-3039.

  12. Nonlinear collisionless damping of Weibel turbulence in relativistic blast waves

    Science.gov (United States)

    Lemoine, Martin

    2015-01-01

    The Weibel/filamentation instability is known to play a key role in the physics of weakly magnetized collisionless shock waves. From the point of view of high energy astrophysics, this instability also plays a crucial role because its development in the shock precursor populates the downstream with a small-scale magneto-static turbulence which shapes the acceleration and radiative processes of suprathermal particles. The present work discusses the physics of the dissipation of this Weibel-generated turbulence downstream of relativistic collisionless shock waves. It calculates explicitly the first-order nonlinear terms associated to the diffusive nature of the particle trajectories. These corrections are found to systematically increase the damping rate, assuming that the scattering length remains larger than the coherence length of the magnetic fluctuations. The relevance of such corrections is discussed in a broader astrophysical perspective, in particular regarding the physics of the external relativistic shock wave of a gamma-ray burst.

  13. Channeling of ultra-relativistic positrons in bent diamond crystals

    Directory of Open Access Journals (Sweden)

    R.G. Polozkov

    2015-06-01

    Full Text Available Results of numerical simulations of channeling of ultra-relativistic positrons are reported for straight and uniformly bent diamond crystals. The projectile trajectories in a crystal are computed using a newly developed module of the MBN Explorer package which simulates classical trajectories in a crystalline medium by integrating the relativistic equations of motion with account for the interaction between the projectile and the crystal atoms. The Monte Carlo method is employed to sample the incoming positrons and to account for thermal vibrations of the crystal atoms. The channeling parameters and emission spectra of incident positrons with a projecti le energy of 855 MeV along C(110 crystallographic planes are calculated for different bending radii of the crystal. Two features of the emission spectrum associated with positron oscillations in a channel and synchrotron radiation are studied as a function of crystal curvature.

  14. Relativistic Warning to Space Missions Aimed to Reach Phobos

    CERN Document Server

    Yefremov, Alexander P

    2012-01-01

    Disagreement in estimations of the observed acceleration of Phobos yields several theories empirically modifying classical description of motion of the satellite, but its orbital positions detected by Mars-aimed spacecraft differ from predictions. It is shown that the satellite's orbital perturbations can be explained as manifestations of the relativistic time-delay effect ignored in classical models. So computed limits of Phobos' acceleration essentially exceed the experimental values. The satellite's expected orbital shift is calculated for the moment of contact with a landing module of the Phobos-Grunt project; the shift assessed in kilometers may prevent the mission success. Limits of the apparent relativistic accelerations are predicted for fast satellites of Jupiter.

  15. Simulation of Relativistic Shocks and Associated Self-Consistent Radiation

    Science.gov (United States)

    Nishikawa, K.-I.; Niemiec, J.; Medvedev, M.; Zhang, B.; Hardee, P.; Mizuno, Y.; Nordlund, A.; Frederiksen, J.; Sol, H.; Pohl, M.; hide

    2010-01-01

    Plasma instabilities excited in collisionless shocks are responsible for particle acceleration. We have investigated the particle acceleration and shock structure associated with an unmagnetized relativistic electron-positron jet propagating into an unmagnetized electron-positron plasma. Cold jet electrons are thermalized and slowed while the ambient electrons are swept up to create a partially developed hydrodynamic-like shock structure. In the leading shock, electron density increases by a factor of about 3.5 in the simulation frame. Strong electromagnetic fields are generated in the trailing shock and provide an emission site. These magnetic fields contribute to the electrons transverse deflection behind the shock. We calculate the radiation from deflected electrons in the turbulent magnetic fields. The properties of this radiation may be important for understanding the complex time evolution and/or spectral structure in gamma-ray bursts, relativistic jets in general, and supernova remnants.

  16. Efficient two-component relativistic method for large systems

    Energy Technology Data Exchange (ETDEWEB)

    Nakai, Hiromi [Department of Chemitsry and Biochemistry, School of Advanced Science and Engineering, Waseda University, Tokyo 169-8555 (Japan); Research Institute for Science and Engineering, Waseda University, Tokyo 169-8555 (Japan); CREST, Japan Science and Technology Agency, 4-1-8 Honcho, Kawaguchi, Saitama 332-0012 (Japan); Elements Strategy Initiative for Catalysts and Batteries (ESICB), Kyoto University, Katsura, Kyoto 615-8520 (Japan)

    2015-12-31

    This paper reviews a series of theoretical studies to develop efficient two-component (2c) relativistic method for large systems by the author’s group. The basic theory is the infinite-order Douglas-Kroll-Hess (IODKH) method for many-electron Dirac-Coulomb Hamiltonian. The local unitary transformation (LUT) scheme can effectively produce the 2c relativistic Hamiltonian, and the divide-and-conquer (DC) method can achieve linear-scaling of Hartree-Fock and electron correlation methods. The frozen core potential (FCP) theoretically connects model potential calculations with the all-electron ones. The accompanying coordinate expansion with a transfer recurrence relation (ACE-TRR) scheme accelerates the computations of electron repulsion integrals with high angular momenta and long contractions.

  17. Magnetogenesis through Relativistic Velocity Shear

    Science.gov (United States)

    Miller, Evan

    Magnetic fields at all scales are prevalent in our universe. However, current cosmological models predict that initially the universe was bereft of large-scale fields. Standard magnetohydrodynamics (MHD) does not permit magnetogenesis; in the MHD Faraday's law, the change in magnetic field B depends on B itself. Thus if B is initially zero, it will remain zero for all time. A more accurate physical model is needed to explain the origins of the galactic-scale magnetic fields observed today. In this thesis, I explore two velocity-driven mechanisms for magnetogenesis in 2-fluid plasma. The first is a novel kinematic 'battery' arising from convection of vorticity. A coupling between thermal and plasma oscillations, this non-relativistic mechanism can operate in flows that are incompressible, quasi-neutral and barotropic. The second mechanism results from inclusion of thermal effects in relativistic shear flow instabilities. In such flows, parallel perturbations are ubiquitously unstable at small scales, with growth rates of order with the plasma frequency over a defined range of parameter-space. Of these two processes, instabilities seem far more likely to account for galactic magnetic fields. Stable kinematic effects will, at best, be comparable to an ideal Biermann battery, which is suspected to be orders of magnitude too weak to produce the observed galactic fields. On the other hand, instabilities grow until saturation is reached, a topic that has yet to be explored in detail on cosmological scales. In addition to investigating these magnetogenesis sources, I derive a general dispersion relation for three dimensional, warm, two species plasma with discontinuous shear flow. The mathematics of relativistic plasma, sheared-flow instability and the Biermann battery are also discussed.

  18. Symmetries of relativistic world lines

    Science.gov (United States)

    Koch, Benjamin; Muñoz, Enrique; Reyes, Ignacio A.

    2017-10-01

    Symmetries are essential for a consistent formulation of many quantum systems. In this paper we discuss a fundamental symmetry, which is present for any Lagrangian term that involves x˙2. As a basic model that incorporates the fundamental symmetries of quantum gravity and string theory, we consider the Lagrangian action of the relativistic point particle. A path integral quantization for this seemingly simple system has long presented notorious problems. Here we show that those problems are overcome by taking into account the additional symmetry, leading directly to the exact Klein-Gordon propagator.

  19. Quasiparticle Dynamics in Relativistic Plasmas

    Science.gov (United States)

    Yaffe, Laurence G.

    2003-06-01

    Quasiparticle dynamics in relativistic plasmas associated with hot, weakly-coupled gauge theories (such as QCD at asymptotically high temperature T) can be described by an effective kinetic theory, valid on sufficiently large time and distance scales. This effective kinetic theory may be used to evaluate observables which are dominantly sensitive to the dynamics of typical ultrarelativistic excitations, to leading order in the running coupling g(T) and all orders in 1/log g(T)-1. Suitable observables include transport coefficients (viscosities and diffusion constants) and energy loss rates. This summary sketches the form of the effective theory and outlines its domain of applicability.

  20. Relativistic atomic beam spectroscopy II

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1989-12-31

    The negative ion of H is one of the simplest 3-body atomic systems. The techniques we have developed for experimental study of atoms moving near speed of light have been productive. This proposal request continuing support for experimental studies of the H{sup -} system, principally at the 800 MeV linear accelerator (LAMPF) at Los Alamos. Four experiments are currently planned: photodetachment of H{sup -} near threshold in electric field, interaction of relativistic H{sup -} ions with matter, high excitations and double charge escape in H{sup -}, and multiphoton detachment of electrons from H{sup -}.

  1. On the Relativistic anisotropic configurations

    CERN Document Server

    Shojai, F; Stepanian, A

    2016-01-01

    In this paper we study anisotropic spherical polytropes within the framework of general relativity. Using the anisotropic Tolman-Oppenheimer-Volkov (TOV) equations, we explore the relativistic anisotropic Lane-Emden equations. We find how the anisotropic pressure affects the boundary conditions of these equations. Also we argue that the behaviour of physical quantities near the center of star changes in the presence of anisotropy. For constant density, a class of exact solution is derived with the aid of a new ansatz and its physical properties are discussed.

  2. Relativistic solitons and superluminal signals

    Energy Technology Data Exchange (ETDEWEB)

    Maccari, Attilio [Technical Institute ' G. Cardano' , Piazza della Resistenza 1, Monterotondo, Rome 00015 (Italy)]. E-mail: solitone@yahoo.it

    2005-02-01

    Envelope solitons in the weakly nonlinear Klein-Gordon equation in 1 + 1 dimensions are investigated by the asymptotic perturbation (AP) method. Two different types of solitons are possible according to the properties of the dispersion relation. In the first case, solitons propagate with the group velocity (less than the light speed) of the carrier wave, on the contrary in the second case solitons always move with the group velocity of the carrier wave, but now this velocity is greater than the light speed. Superluminal signals are then possible in classical relativistic nonlinear field equations.

  3. Isospin-dependent multifragmentation of relativistic projectiles

    Science.gov (United States)

    Ogul, R.; Botvina, A. S.; Atav, U.; Buyukcizmeci, N.; Mishustin, I. N.; Adrich, P.; Aumann, T.; Bacri, C. O.; Barczyk, T.; Bassini, R.; Bianchin, S.; Boiano, C.; Boudard, A.; Brzychczyk, J.; Chbihi, A.; Cibor, J.; Czech, B.; de Napoli, M.; Ducret, J.-É.; Emling, H.; Frankland, J. D.; Hellström, M.; Henzlova, D.; Immè, G.; Iori, I.; Johansson, H.; Kezzar, K.; Lafriakh, A.; Le Fèvre, A.; Le Gentil, E.; Leifels, Y.; Lühning, J.; Łukasik, J.; Lynch, W. G.; Lynen, U.; Majka, Z.; Mocko, M.; Müller, W. F. J.; Mykulyak, A.; Orth, H.; Otte, A. N.; Palit, R.; Pawłowski, P.; Pullia, A.; Raciti, G.; Rapisarda, E.; Sann, H.; Schwarz, C.; Sfienti, C.; Simon, H.; Sümmerer, K.; Trautmann, W.; Tsang, M. B.; Verde, G.; Volant, C.; Wallace, M.; Weick, H.; Wiechula, J.; Wieloch, A.; Zwiegliński, B.

    2011-02-01

    The N/Z dependence of projectile fragmentation at relativistic energies has been studied with the ALADIN forward spectrometer at the GSI Schwerionen Synchrotron (SIS). Stable and radioactive Sn and La beams with an incident energy of 600 MeV per nucleon have been used in order to explore a wide range of isotopic compositions. For the interpretation of the data, calculations with the statistical multifragmentation model for a properly chosen ensemble of excited sources were performed. The parameters of the ensemble, representing the variety of excited spectator nuclei expected in a participant-spectator scenario, are determined empirically by searching for an optimum reproduction of the measured fragment-charge distributions and correlations. An overall very good agreement is obtained. The possible modification of the liquid-drop parameters of the fragment description in the hot freeze-out environment is studied, and a significant reduction of the symmetry-term coefficient is found necessary to reproduce the mean neutron-to-proton ratios /Z and the isoscaling parameters of Z⩽10 fragments. The calculations are, furthermore, used to address open questions regarding the modification of the surface-term coefficient at freeze-out, the N/Z dependence of the nuclear caloric curve, and the isotopic evolution of the spectator system between its formation during the initial cascade stage of the reaction and its subsequent breakup.

  4. Dissipation in relativistic superfluid neutron stars

    Science.gov (United States)

    Gusakov, M. E.; Kantor, E. M.; Chugunov, A. I.; Gualtieri, L.

    2013-01-01

    We analyse damping of oscillations of general relativistic superfluid neutron stars. To this aim we extend the method of decoupling of superfluid and normal oscillation modes first suggested in Gusakov & Kantor. All calculations are made self-consistently within the finite temperature superfluid hydrodynamics. The general analytic formulas are derived for damping times due to the shear and bulk viscosities. These formulas describe both normal and superfluid neutron stars and are valid for oscillation modes of arbitrary multipolarity. We show that (i) use of the ordinary one-fluid hydrodynamics is a good approximation, for most of the stellar temperatures, if one is interested in calculation of the damping times of normal f modes, (ii) for radial and p modes such an approximation is poor and (iii) the temperature dependence of damping times undergoes a set of rapid changes associated with resonance coupling of neighbouring oscillation modes. The latter effect can substantially accelerate viscous damping of normal modes in certain stages of neutron-star thermal evolution.

  5. Einstein Never Approved of Relativistic Mass

    Science.gov (United States)

    Hecht, Eugene

    2009-01-01

    During much of the 20th century it was widely believed that one of the significant insights of special relativity was "relativistic mass." Today there are two schools on that issue: the traditional view that embraces speed-dependent "relativistic mass," and the more modern position that rejects it, maintaining that there is only one mass and it's…

  6. Radiatively-driven general relativistic jets

    Indian Academy of Sciences (India)

    Mukesh K. Vyas

    2018-02-10

    Feb 10, 2018 ... of radial jets and solve them using polytropic equation of state of the relativistic gas. We consider curved space- time around black holes and obtain jets with moderately relativistic terminal speeds. In addition, the radiation field from the accretion disc, is able to induce internal shocks in the jet close to the ...

  7. Relativistic heavy-ion physics: Experimental overview

    Indian Academy of Sciences (India)

    Abstract. The field of relativistic heavy-ion physics is reviewed with emphasis on new results and highlights from the first run of the relativistic heavy-ion collider at BNL and the 15 year research programme at the super proton synchrotron (SPS) at CERN and the AGS at BNL.

  8. Compton Effect with Non-Relativistic Kinematics

    Science.gov (United States)

    Shivalingaswamy, T.; Kagali, B. A.

    2011-01-01

    In deducing the change of wavelength of x-rays scattered by atomic electrons, one normally makes use of relativistic kinematics for electrons. However, recoiling energies of the electrons are of the order of a few keV which is less than 0.2% of their rest energies. Hence the authors may ask whether relativistic formulae are really necessary. In…

  9. Workshop on gravitational waves and relativistic astrophysics

    Indian Academy of Sciences (India)

    This workshop saw five presentations in the field of gravitational radiation and two on compact, relativistic self-gravitating systems. Gravitational waves (GWs) and black holes (BHs) are two of the most significant predictions of Einstein's relativistic theory of gravity and, as far as their experimental status is concerned, both of ...

  10. Atomic Densities, Polarizabilities, and Natural Orbitals Derived from Generalized Sturmian Calculations

    DEFF Research Database (Denmark)

    Avery, John Scales; Avery, James Emil; Aquilanti, Vincenzo

    2004-01-01

    The generalized Sturmian method for atomic and molecular electronic structure calculations is a direct configuration interaction method in which the configurations are chosen to be isoenergetic solutions of an approximate N-electron Schrödinger equation with a weighted potential, $\\beta_\

  11. On the Relativistic Micro-Canonical Ensemble and Relativistic Kinetic Theory for N Relativistic Particles in Inertial and Non-Inertial Rest Frames

    OpenAIRE

    Alba, David; Crater, Horace W.; Lusanna, Luca

    2012-01-01

    A new formulation of relativistic classical mechanics allows a revisiting of old unsolved problems in relativistic kinetic theory and in relativistic statistical mechanics. In particular a definition of the relativistic micro-canonical partition function is given strictly in terms of the Poincar\\'e generators of an interacting N-particle system both in the inertial and non-inertial rest frames. The non-relativistic limit allows a definition of both the inertial and non-inertial micro-canonica...

  12. Non-relativistic scale anomalies

    Energy Technology Data Exchange (ETDEWEB)

    Arav, Igal [Raymond and Beverly Sackler School of Physics and Astronomy, Tel-Aviv University,55 Haim Levanon street, Tel-Aviv, 69978 (Israel); Chapman, Shira [Perimeter Institute for Theoretical Physics,31 Caroline Street North, ON N2L 2Y5 (Canada); Oz, Yaron [Raymond and Beverly Sackler School of Physics and Astronomy, Tel-Aviv University,55 Haim Levanon street, Tel-Aviv, 69978 (Israel)

    2016-06-27

    We extend the cohomological analysis in arXiv:1410.5831 of anisotropic Lifshitz scale anomalies. We consider non-relativistic theories with a dynamical critical exponent z=2 with or without non-relativistic boosts and a particle number symmetry. We distinguish between cases depending on whether the time direction does or does not induce a foliation structure. We analyse both 1+1 and 2+1 spacetime dimensions. In 1+1 dimensions we find no scale anomalies with Galilean boost symmetries. The anomalies in 2+1 dimensions with Galilean boosts and a foliation structure are all B-type and are identical to the Lifshitz case in the purely spatial sector. With Galilean boosts and without a foliation structure we find also an A-type scale anomaly. There is an infinite ladder of B-type anomalies in the absence of a foliation structure with or without Galilean boosts. We discuss the relation between the existence of a foliation structure and the causality of the field theory.

  13. Lecture Series on Relativistic Quantum Information

    Science.gov (United States)

    Fuentes, Ivette

    2013-09-01

    The insight that the world is fundamentally quantum mechanical inspired the development of quantum information theory. However, the world is not only quantum but also relativistic, and indeed many implementations of quantum information tasks involve truly relativistic systems. In this lecture series I consider relativistic effects on entanglement in flat and curved spacetimes. I will emphasize the qualitative differences to a non-relativistic treatment, and demonstrate that a thorough understanding of quantum information theory requires taking relativity into account. The exploitation of such relativistic effects will likely play an increasing role in the future development of quantum information theory. The relevance of these results extends beyond pure quantum information theory, and applications to foundational questions in cosmology and black hole physics will be presented.

  14. Molecular Relativistic Corrections Determined in the Framework Where the Born-Oppenheimer Approximation is Not Assumed

    Science.gov (United States)

    Stanke, Monika; Adamowicz, Ludwik

    2013-10-01

    In this work, we describe how the energies obtained in molecular calculations performed without assuming the Born-Oppenheimer (BO) approximation can be augmented with corrections accounting for the leading relativistic effects. Unlike the conventional BO approach, where these effects only concern the relativistic interactions between the electrons, the non-BO approach also accounts for the relativistic effects due to the nuclei and due to the coupling of the coupled electron-nucleus motion. In the numerical sections, the results obtained with the two approaches are compared. The first comparison concerns the dissociation energies of the two-electron isotopologues of the H2 molecule, H2, HD, D2, T2, and the HeH+ ion. The comparison shows that, as expected, the differences in the relativistic contributions obtained with the two approaches increase as the nuclei become lighter. The second comparison concerns the relativistic corrections to all 23 pure vibrational states of the HD+ ion. An interesting charge asymmetry caused by the nonadiabatic electron-nucleus interaction appears in this system, and this effect significantly increases with the vibration excitation. The comparison of the non-BO results with the results obtained with the conventional BO approach, which in the lowest order does not describe the charge-asymmetry effect, reveals how this effect affects the values of the relativistic corrections.

  15. A long time span relativistic precession model of the Earth

    Science.gov (United States)

    Tang, Kai; Soffel, Michael H.; Tao, Jin-He; Han, Wen-Biao; Tang, Zheng-Hong

    2015-04-01

    A numerical solution to the Earth's precession in a relativistic framework for a long time span is presented here. We obtain the motion of the solar system in the Barycentric Celestial Reference System by numerical integration with a symplectic integrator. Special Newtonian corrections accounting for tidal dissipation are included in the force model. The part representing Earth's rotation is calculated in the Geocentric Celestial Reference System by integrating the post-Newtonian equations of motion published by Klioner et al. All the main relativistic effects are included following Klioner et al. In particular, we consider several relativistic reference systems with corresponding time scales, scaled constants and parameters. Approximate expressions for Earth's precession in the interval ±1 Myr around J2000.0 are provided. In the interval ±2000 years around J2000.0, the difference compared to the P03 precession theory is only several arcseconds and the results are consistent with other long-term precession theories. Supported by the National Natural Science Foundation of China.

  16. Relativistic analysis of stochastic kinematics

    Science.gov (United States)

    Giona, Massimiliano

    2017-10-01

    The relativistic analysis of stochastic kinematics is developed in order to determine the transformation of the effective diffusivity tensor in inertial frames. Poisson-Kac stochastic processes are initially considered. For one-dimensional spatial models, the effective diffusion coefficient measured in a frame Σ moving with velocity w with respect to the rest frame of the stochastic process is inversely proportional to the third power of the Lorentz factor γ (w ) =(1-w2/c2) -1 /2 . Subsequently, higher-dimensional processes are analyzed and it is shown that the diffusivity tensor in a moving frame becomes nonisotropic: The diffusivities parallel and orthogonal to the velocity of the moving frame scale differently with respect to γ (w ) . The analysis of discrete space-time diffusion processes permits one to obtain a general transformation theory of the tensor diffusivity, confirmed by several different simulation experiments. Several implications of the theory are also addressed and discussed.

  17. Magnetohydrodynamic production of relativistic jets.

    Science.gov (United States)

    Meier, D L; Koide, S; Uchida, Y

    2001-01-05

    A number of astronomical systems have been discovered that generate collimated flows of plasma with velocities close to the speed of light. In all cases, the central object is probably a neutron star or black hole and is either accreting material from other stars or is in the initial violent stages of formation. Supercomputer simulations of the production of relativistic jets have been based on a magnetohydrodynamic model, in which differential rotation in the system creates a magnetic coil that simultaneously expels and pinches some of the infalling material. The model may explain the basic features of observed jets, including their speed and amount of collimation, and some of the details in the behavior and statistics of different jet-producing sources.

  18. Relativistic Quantum Field Theory for Condensed -

    Science.gov (United States)

    MATSUURA, HIROYUKI

    We proposed Atomic Schwinger Dyson method (ASD method) in this paper, which was the nonperturbative and finite relativistic quantum field theory, and we treat many electron system and electronic matter. The ASD formalism consists of coupled Dyson equations of electrons and photons. Since, it includes self-energies in a nonperturbative way, higher-order correlations beyond Hartee Fock approximation are taken into account. Some important differences between the ASD formalism for the system of finite electron density and SD formalism of zero electron density are shown. The main difference is due to the existence of condensed photon field, symmetry breaking, and what we call, Coulomb's potential. By paying special attention to the treatment of the condensed photon fields, the coupled Dyson equations of electron and photon are derived based on functional propagator method. It is shown that this treatment of the condensed fields naturally leads to tadpole energy, which cancels the Hartree energy. By using these photon propagators, explicit expression of ASD coupled equations and the energy density of matters are derived for numerical calculations in a subsequent paper. Similarities and differences between ASD and traditional methods such as the mean field theory or the Hartree Fock method are discussed; it is shown that these traditional methods were included in our ASD formalism.

  19. Heat dissipation in relativistic single charged fluids

    Science.gov (United States)

    Garcia-Perciante, A. L.; Sandoval-Villalbazo, A.; Brun-Battistini, D.

    2015-11-01

    When the temperature of a fluid is increased its out of equilibrium behavior is significantly modified. In particular kinetic theory predicts that the heat flux is not solely driven by a temperature gradient but can also be coupled to other thermodynamic vector forces. We explore the nature of heat conduction in a single component charged fluid in special relativity, where the electromagnetic field is introduced as an external force. We obtain an electrothermal effect, similar to the mixture's cross-effect, which is not present in the non-relativistic simple fluid. The general lines of the corresponding calculation will be shown, emphasizing the importance of reference frame invariance and the origin of the extra heat sources, in particular the role of the modified inertia and the difference in fluid's and molecules' proper times. The constitutive equation for the heat flux obtained using Chapman-Enskog's expansion in Marle's approximation will be analyzed together with the corresponding transport coefficients.The impact of this effect in the overall dynamics of the system here considered will be briefly discussed. The authors acknowledge support from CONACyT through grant CB2011/167563.

  20. Longitudinal response functions for quasielastic electron scattering in relativistic non-linear models

    CERN Document Server

    Caillon, J C

    2002-01-01

    The longitudinal response functions for quasielastic electron scattering on sup 1 sup 2 C, sup 4 sup 0 Ca and sup 5 sup 6 Fe have been calculated in relativistic non-linear models taking into account RPA correlations. For these calculations, a covariant, consistent, calculation of the nuclear matter linear response has been performed. The effect of the non-linear terms on the longitudinal response has been discussed.

  1. Some lessons from relativistic reduction models

    CERN Document Server

    Ghirardi, Gian Carlo

    1999-01-01

    We reconsider some recently proposed relativistic dynamical reduction models and we point out the new conceptual picture about reduction processes that they impose on our considerations. Ignoring the specific technical difficulties of such generalizations we show that the just mentioned picture fits perfectly the natural ontology of the dynamical reduction program and yields a consistent description of macro-objectification in a relativistic and nonlocal context. We consider recent criticisms of the relativistic dynamical reduction program and we show that they are inappropriate, the reason being that they derive from serious misunderstandings of some technical and conceptual points of the theory. (53 refs).

  2. The relativistic Black-Scholes model

    Science.gov (United States)

    Trzetrzelewski, Maciej

    2017-02-01

    The Black-Scholes equation, after a certain coordinate transformation, is equivalent to the heat equation. On the other hand the relativistic extension of the latter, the telegraphers equation, can be derived from the Euclidean version of the Dirac equation. Therefore, the relativistic extension of the Black-Scholes model follows from relativistic quantum mechanics quite naturally. We investigate this particular model for the case of European vanilla options. Due to the notion of locality incorporated in this way, one finds that the volatility frown-like effect appears when comparing to the original Black-Scholes model.

  3. Relativistic Electron Experiment for the Undergraduate Laboratory

    CERN Document Server

    Marvel, Robert E

    2011-01-01

    We have developed an undergraduate laboratory experiment to make independent measurements of the momentum and kinetic energy of relativistic electrons from a \\beta -source. The momentum measurements are made with a magnetic spectrometer and a silicon surface-barrier detector is used to measure the kinetic energy. A plot of the kinetic energy as a function of momentum compared to the classical and relativistic predictions clearly shows the relativistic nature of the electrons. Accurate values for the rest mass of the electron and the speed of light are also extracted from the data.

  4. Spin-orbit ZORA and four-component Dirac-Coulomb estimation of relativistic corrections to isotropic nuclear shieldings and chemical shifts of noble gas dimers

    DEFF Research Database (Denmark)

    Jankowska, Marzena; Kupka, Teobald; Stobiński, Leszek

    2016-01-01

    Hartree-Fock and density functional theory with the hybrid B3LYP and general gradient KT2 exchange-correlation functionals were used for non-relativistic and relativistic nuclear magnetic shielding calculations of helium, neon, argon, krypton and xenon dimers and free atoms. Relativistic correcti......Hartree-Fock and density functional theory with the hybrid B3LYP and general gradient KT2 exchange-correlation functionals were used for non-relativistic and relativistic nuclear magnetic shielding calculations of helium, neon, argon, krypton and xenon dimers and free atoms. Relativistic...... shieldings and chemical shifts are combined with non-relativistic CCSD(T) calculations using the very large polarization-consistent basis sets aug-pcSseg-4 for He, Ne and Ar, aug-pcSseg-3 for Kr and the AQZP basis set for Xe. For the dimers also zero-point vibrational corrections obtained at the CCSD......(T) level with the same basis sets were added. Best estimates of the dimer chemical shifts are generated from these nuclear magnetic shieldings and the relative importance of electron correlation, zero-point vibrational and relativistic corrections for the shieldings and chemical shifts is analyzed....

  5. Ab-initio CI calculations for 3d transition metal L{sub 2,3} X-ray absorption spectra of TiCl{sub 4} and VOCl{sub 3}

    Energy Technology Data Exchange (ETDEWEB)

    Ikeno, Hidekazu; Groot, Frank M F de [Department of Inorganic Chemistry and Catalysis, Utrecht University, Sorbonnelaan 16, 3584 CA Utrecht (Netherlands); Tanaka, Isao, E-mail: H.Ikeno@uu.n [Department of Materials Science and Engineering, Kyoto University, Yoshida, Sakyo, Kyoto 606-8501 (Japan)

    2009-11-15

    X-ray-absorption near-edge structures (XANES) at the transition metal (TM) L{sub 2,3}-edge of TiCl{sub 4} and VOCl{sub 3} are calculated by the all-electron configuration interaction (CI) method using fully-relativistic molecular spinors with density functional theory (DFT). The electronic excitation from molecular spinors mainly composed of ligand p atomic spinors to those of TM-3d spinors, i.e., the charge transfer, is included by taking additional electronic configurations in the CI. The effects of the ligand field and the charge transfer on the TM-L{sub 2,3} XANES are investigated by an ab-intio method. The reduction of inter-electron interaction due to the covalent bonding between TM and ligand atoms has been found. The contribution of charge transferred configuration is small at the initial state of TM-L{sub 2,3} XANES while the significant amount of charge transferred configuration is found at the final states. The spectral shapes of TM-L{sub 2,3} XANES of both TiCl{sub 4} and VOCl{sub 3} are strongly modified by the charge transfer effects.

  6. Relativistic mean field theory with the pion for finite nuclei

    Energy Technology Data Exchange (ETDEWEB)

    Sugimoto, S.; Toki, H.; Ikeda, K.; Minkov, N

    2003-07-14

    We study the possible occurrence of finite pion mean field in finite nuclei in the relativistic mean field (RMF) theory. We calculate explicitly various N = Z closed-shell nuclei with finite pion mean field in the RMF theory with the standard parameter set and the pion-nucleon coupling in free space. The finite pion mean field is introduced by breaking the parity symmetry of intrinsic single-particle states. We demonstrate the actual occurrence and the property of the finite pion mean field.

  7. Quantum relativistic fluid at global thermodynamic equilibrium in curved spacetime

    CERN Document Server

    Becattini, F

    2015-01-01

    We present a new approach to the problem of the thermodynamical equilibrium of a quantum relativistic fluid in a curved spacetime in the limit of small curvature. We calculate the mean value of local operators by expanding the four-temperature Killing vector field in Riemann normal coordinates about the same spacetime point and we derive corrections with respect to the flat spacetime expressions. Thereby, we clarify the origin of the terms proportional to Riemann and Ricci tensors introduced in general hydrodynamic expansion of the stress-energy tensor.

  8. Extended quasiparticle approximation for relativistic electrons in plasmas

    Directory of Open Access Journals (Sweden)

    V.G.Morozov

    2006-01-01

    Full Text Available Starting with Dyson equations for the path-ordered Green's function, it is shown that the correlation functions for relativistic electrons (positrons in a weakly coupled non-equilibrium plasmas can be decomposed into sharply peaked quasiparticle parts and off-shell parts in a rather general form. To leading order in the electromagnetic coupling constant, this decomposition yields the extended quasiparticle approximation for the correlation functions, which can be used for the first principle calculation of the radiation scattering rates in QED plasmas.

  9. Angle-dependent Green's functions for relativistic Compton reflection

    Science.gov (United States)

    Hua, Xin-Min; Lingenfelter, Richard E.

    1992-01-01

    Using analytic methods, we derived the first-order Green's functions, in terms of the observing angle, for the reflected spectra after a single Compton scattering of relativistic photons by a plane-parallel semiinfinite medium of cold electrons. We also calculated the total Green's functions for incident photons of 511 keV, using Monte Carlo methods. We show that both the first-order and total Green's functions have strong angular dependences and that the first-order Green's functions play a dominant role in determining the properties of the total reflected spectra.

  10. Nuclear surface properties in relativistic effective field theory

    Energy Technology Data Exchange (ETDEWEB)

    Del Estal, M.; Centelles, M.; Vinas, X

    1999-04-26

    We perform Hartree calculations of symmetric and asymmetric semi-infinite nuclear matter in the framework of relativistic models based on effective hadronic field theories as recently proposed in the literature. In addition to the conventional cubic and quartic scalar self-interactions, the extended models incorporate a quartic vector self-interaction, scalar-vector non-linearities and tensor couplings of the vector mesons. We investigate the implications of these terms on nuclear surface properties such as the surface energy coefficient, surface thickness, surface stiffness coefficient, neutron skin thickness and the spin-orbit force.

  11. Relativistic Thermodynamics: A Modern 4-Vector Approach

    Directory of Open Access Journals (Sweden)

    J. Güémez

    2011-01-01

    Full Text Available Using the Minkowski relativistic 4-vector formalism, based on Einstein's equation, and the relativistic thermodynamics asynchronous formulation (Grøn (1973, the isothermal compression of an ideal gas is analyzed, considering an electromagnetic origin for forces applied to it. This treatment is similar to the description previously developed by Van Kampen (van Kampen (1969 and Hamity (Hamity (1969. In this relativistic framework Mechanics and Thermodynamics merge in the first law of relativistic thermodynamics expressed, using 4-vector notation, such as ΔUμ  =  Wμ  +  Qμ, in Lorentz covariant formulation, which, with the covariant formalism for electromagnetic forces, constitutes a complete Lorentz covariant formulation for classical physics.

  12. Relativistic transformation of phase-space distributions

    Directory of Open Access Journals (Sweden)

    R. A. Treumann

    2011-07-01

    Full Text Available We investigate the transformation of the distribution function in the relativistic case, a problem of interest in plasma when particles with high (relativistic velocities come into play as for instance in radiation belt physics, in the electron-cyclotron maser radiation theory, in the vicinity of high-Mach number shocks where particles are accelerated to high speeds, and generally in solar and astrophysical plasmas. We show that the phase-space volume element is a Lorentz constant and construct the general particle distribution function from first principles. Application to thermal equilibrium lets us derive a modified version of the isotropic relativistic thermal distribution, the modified Jüttner distribution corrected for the Lorentz-invariant phase-space volume element. Finally, we discuss the relativistic modification of a number of plasma parameters.

  13. Coherent states for the relativistic harmonic oscillator

    Science.gov (United States)

    Aldaya, Victor; Guerrero, J.

    1995-01-01

    Recently we have obtained, on the basis of a group approach to quantization, a Bargmann-Fock-like realization of the Relativistic Harmonic Oscillator as well as a generalized Bargmann transform relating fock wave functions and a set of relativistic Hermite polynomials. Nevertheless, the relativistic creation and annihilation operators satisfy typical relativistic commutation relations of the Lie product (vector-z, vector-z(sup dagger)) approximately equals Energy (an SL(2,R) algebra). Here we find higher-order polarization operators on the SL(2,R) group, providing canonical creation and annihilation operators satisfying the Lie product (vector-a, vector-a(sup dagger)) = identity vector 1, the eigenstates of which are 'true' coherent states.

  14. Limits and signatures of relativistic spaceflight

    Science.gov (United States)

    Yurtsever, Ulvi; Wilkinson, Steven

    2018-01-01

    While special relativity imposes an absolute speed limit at the speed of light, our Universe is not empty Minkowski spacetime. The constituents that fill the interstellar/intergalactic vacuum, including the cosmic microwave background photons, impose a lower speed limit on any object travelling at relativistic velocities. Scattering of cosmic microwave photons from an ultra-relativistic object may create radiation with a characteristic signature allowing the detection of such objects at large distances.

  15. Relativistic DNLS and Kaup-Newell Hierarchy

    Science.gov (United States)

    Pashaev, Oktay K.; Lee, Jyh-Hao

    2017-07-01

    By the recursion operator of the Kaup-Newell hierarchy we construct the relativistic derivative NLS (RDNLS) equation and the corresponding Lax pair. In the nonrelativistic limit c → ∞ it reduces to DNLS equation and preserves integrability at any order of relativistic corrections. The compact explicit representation of the linear problem for this equation becomes possible due to notions of the q-calculus with two bases, one of which is the recursion operator, and another one is the spectral parameter.

  16. Q-oscillators and relativistic position operators

    Energy Technology Data Exchange (ETDEWEB)

    Arik, M. (Dept. of Mathematics, Istanbul Technical Univ. (Turkey)); Mungan, M. (Dept. of Physics, Bogazici Univ., Istanbul (Turkey))

    1992-05-21

    We investigate the multi-dimensional q-oscillator whose commutation relations are invariant under the quantum group. The no-interaction limit corresponds to a contraction of the q-oscillator algebra and yields relativistic position operators which can be expressed in terms of the generators of the Poincare group. This leads to the interpretation of the interacting q-oscillator as an relativistic quantum system and results in a hamiltonian whose spectrum is exactly exponential. (orig.).

  17. Relativistic effects in the study of weakly bound F and Be nuclei

    Indian Academy of Sciences (India)

    FAHIME REZVANI

    2018-01-03

    Jan 3, 2018 ... Abstract. Relativistic effects are employed to describe the weakly bound nuclei of 17F and 11Be. In order to calculate the energy levels of the ground state and the excited states of these nuclei, we solved the Dirac equation with pseudospin symmetry in the shell model by using the basic concept of ...

  18. Relativistic Band Structure and Fermi Surface of PdTe2 by the LMTO Method

    DEFF Research Database (Denmark)

    Jan, J. P.; Skriver, Hans Lomholt

    1977-01-01

    The energy bands of the trigonal layer compound PdTe2 have been calculated, using the relativistic linear muffin-tin orbitals method. The bandstructure is separated into three distinct regions with low-lying Te 5s bands, conduction bands formed by Pd 4d and Te 5p states, and high-lying bands formed...

  19. THE EVOLUTION OF HOMOGENEOUS AND ISOTROPIC UNIVERSE IN THE RELATIVISTIC THEORY OF GRAVITATION

    Directory of Open Access Journals (Sweden)

    Modestov Konstantin Anatol'evich

    2015-03-01

    Full Text Available The application of the relativistic theory of gravitation with nonzero graviton rest mass to the Universe evolution is being considered in the paper. The authors made an attempt to explain its observed acceleration of expansion due to the presence of graviton rest mass. The evolution half-cycle and the Universe present age is being calculated.

  20. Relativistic effects in the study of weakly bound 17 F and 11 Be nuclei

    Indian Academy of Sciences (India)

    Relativistic effects are employed to describe the weakly bound nuclei of 17 F and 11 B e . In order to calculate the energy levels of the ground state and the excited states of these nuclei, we solved the Dirac equation with pseudospin symmetry in the shell model by using the basic concept of supersymmetric shape ...

  1. Symmetry energy of the nucleus in the relativistic Thomas–Fermi ...

    Indian Academy of Sciences (India)

    The symmetry energy of a nucleus is determined in a local density approximation and integrating over the entire density distribution of the nucleus, calculated utilizing the relativistic density-dependent Thomas-Fermiapproach. The symmetry energy is found to decrease with increasing neutron excess in the nucleus.

  2. Relativistic coupled-cluster studies of ionization potentials, lifetimes, and polarizabilities in singly ionized calcium

    NARCIS (Netherlands)

    Sahoo, B. K.; Das, B. P.; Mukherjee, D.

    Using the relativistic coupled-cluster method, we have calculated ionization potentials, electric dipole transition amplitudes, and dipole polarizabilities of many low-lying states of Ca(+). Contributions from the Breit interaction are given explicitly for these properties. Polarizabilities of the

  3. Relativistic entropy and related Boltzmann kinetics

    Energy Technology Data Exchange (ETDEWEB)

    Kaniadakis, G. [Politecnico di Torino (Italy). Dipartimento di Fisica

    2009-06-15

    It is well known that the particular form of the two-particle correlation function, in the collisional integral of the classical Boltzmann equation, fixes univocally the entropy of the system, which turns out to be the Boltzmann-Gibbs-Shannon entropy. In the ordinary relativistic Boltzmann equation, some standard generalizations, with respect to its classical version, imposed by the special relativity, are customarily performed. The only ingredient of the equation, which tacitly remains in its original classical form, is the two-particle correlation function, and this fact imposes that also the relativistic kinetics is governed by the Boltzmann-Gibbs-Shannon entropy. Indeed the ordinary relativistic Boltzmann equation admits as stationary stable distribution, the exponential Juttner distribution. Here, we show that the special relativity laws and the maximum entropy principle suggest a relativistic generalization also of the two-particle correlation function and then of the entropy. The so obtained, fully relativistic Boltzmann equation, obeys the H-theorem and predicts a stationary stable distribution, presenting power law tails in the high-energy region. The ensued relativistic kinetic theory preserves the main features of the classical kinetics, which recovers in the c{yields}{infinity} limit. (orig.)

  4. The relativistic geoid: redshift and acceleration potential

    Science.gov (United States)

    Philipp, Dennis; Lämmerzahl, Claus; Puetzfeld, Dirk; Hackmann, Eva; Perlick, Volker

    2017-04-01

    We construct a relativistic geoid based on a time-independent redshift potential, which foliates the spacetime into isochronometric surfaces. This relativistic potential coincides with the acceleration potential for isometric congruences. We show that the a- and u- geoid, defined in a post-Newtonian framework, coincide also in a more general setup. Known Newtonian and post-Newtonian results are recovered in the respective limits. Our approach offers a relativistic definition of the Earth's geoid as well as a description of the Earth itself (or observers on its surface) in terms of an isometric congruence. Being fully relativistic, this notion of a geoid can also be applied to other compact objects such as neutron stars. By definition, this relativistic geoid can be determined by a congruence of Killing observers equipped with standard clocks by comparing their frequencies as well as by measuring accelerations of objects that follow the congruence. The redshift potential gives the correct result also for frequency comparison through optical fiber links as long as the fiber is at rest w.r.t. the congruence. We give explicit expressions for the relativistic geoid in the Kerr spacetime and the Weyl class of spacetimes. To investigate the influence of higher order mass multipole moments we compare the results for the Schwarzschild case to those obtained for the Erez-Rosen and q-metric spacetimes.

  5. Photon production in relativistic nuclear collisions at SPS and RHIC energies

    CERN Document Server

    Turbide, S; Rapp, R; 10.1142/S0217751X0402258X

    2004-01-01

    Chiral Lagrangians are used to compute the production rate of photons from the hadronic phase of relativistic nuclear collisions. Special attention is paid to the role of the a/sub 1/ pseudovector. Calculations that include strange meson reactions, form factors, the use of consistent vector spectral densities, the emission from a quark-gluon plasma, and primordial nucleon-nucleon collisions reproduce the photon spectra measured at the Super Proton Synchrotron (SPS). Some predictions for the Relativistic Heavy Ion Collider (RHIC) are made.

  6. Relativistic theory of nuclear spin-rotation tensor with kinetically balanced rotational London orbitals.

    Science.gov (United States)

    Xiao, Yunlong; Zhang, Yong; Liu, Wenjian

    2014-10-28

    Both kinetically balanced (KB) and kinetically unbalanced (KU) rotational London orbitals (RLO) are proposed to resolve the slow basis set convergence in relativistic calculations of nuclear spin-rotation (NSR) coupling tensors of molecules containing heavy elements [Y. Xiao and W. Liu, J. Chem. Phys. 138, 134104 (2013)]. While they perform rather similarly, the KB-RLO Ansatz is clearly preferred as it ensures the correct nonrelativistic limit even with a finite basis. Moreover, it gives rise to the same "direct relativistic mapping" between nuclear magnetic resonance shielding and NSR coupling tensors as that without using the London orbitals [Y. Xiao, Y. Zhang, and W. Liu, J. Chem. Theory Comput. 10, 600 (2014)].

  7. Fission barriers and asymmetric ground states in the relativistic mean-field theory

    Energy Technology Data Exchange (ETDEWEB)

    Rutz, K. [Frankfurt Univ. (Germany). Inst. fuer Theoretische Physik; Maruhn, J.A. [Joint Institute for Heavy Ion Research, Holifield Heavy Ion Research Facility, Oak Ridge, TN 87831 (United States); Reinhard, P.G. [Joint Institute for Heavy Ion Research, Holifield Heavy Ion Research Facility, Oak Ridge, TN 87831 (United States); Greiner, W. [Joint Institute for Heavy Ion Research, Holifield Heavy Ion Research Facility, Oak Ridge, TN 87831 (United States)

    1995-07-31

    The symmetric and asymmetric fission path for {sup 240}Pu, {sup 232}Th and {sup 226}Ra is investigated within the relativistic mean-field model. Standard parametrizations which are well fitted to nuclear ground-state properties are found to deliver reasonable qualitative and quantitative features of fission, comparable to similar nonrelativistic calculations. Furthermore, stable octupole deformations in the ground states of radium isotopes are investigated. They are found in a series of isotopes, qualitatively in agreement with nonrelativistic models. But the quantitative details differ amongst the models and between the various relativistic parametrizations. (orig.).

  8. Complete energy balance relation in relativistic magnetic reconnection and its application for guide-field reconnection

    Science.gov (United States)

    Yang, Shu-Di

    2017-01-01

    Energy balance equation for steady state Sweet-Parker reconnection in a relativistic regime is reanalyzed, employing a complete electromagnetic energy equation. A correction related to Vin is added with electric energy taken into account. The validity and meaning of the correction are demonstrated with the energy-momentum tensor. Predictions of the new scaling are compared with the previous ones. Energy calculation is also used in the cases with guide field, with a view to the role of the guide field for energy balance. And the relativistic tearing mode growth rate with guide field is discussed using the fluid model.

  9. Stationary electromagnetic fields of slowly rotating relativistic magnetized star in the braneworld

    Science.gov (United States)

    Turimov, B. V.; Ahmedov, B. J.; Hakimov, A. A.

    2017-11-01

    The exterior electromagnetic fields of slowly rotating relativistic magnetized star in the braneworld are studied in detail. We have also obtained exact analytical solutions of the Maxwell equations for the magnetic and the electric fields inside the slowly rotating relativistic magnetized star in the braneworld. The dependence of the electromagnetic energy losses of the rotating magnetized star from the brane tension is also calculated and has been combined with the astrophysical data on pulsar period slowdown in order to get constraints on the brane parameter. We have found the upper limit for the brane parameter as |Q*|≲3 ×1011 cm2.

  10. Fluorescence excited in a thunderstorm atmosphere by relativistic runaway electron avalanches

    Science.gov (United States)

    Babich, L. P.; Bochkov, E. I.

    2017-05-01

    The spectrum and spatiotemporal evolution of the fluorescence of an atmospheric discharge developing in the regime of relativistic runaway electron avalanche (RREA) generation have been calculated without involving the relativistic feedback. The discharges generating narrow bipolar pulses, along with the discharges responsible for terrestrial gamma-ray flashes, are shown to be relatively dark. Nevertheless, the fluorescence excited by a discharge involving RREAs can be recorded with cameras used to record high-altitude optical phenomena. A possible connection between a certain class of optical phenomena observed at the tops of thunderclouds and RREA emission is pointed out.

  11. Full configuration interaction potential energy curves for the X (1)Sigma(g) (+), B (1)Delta(g), and B(') (1)Sigma(g) (+) states of C(2): a challenge for approximate methods.

    Science.gov (United States)

    Abrams, Micah L; Sherrill, C David

    2004-11-15

    The C(2) molecule exhibits unusual bonding and several low-lying excited electronic states, making the prediction of its potential energy curves a challenging test for quantum chemical methods. We report full configuration interaction results for the X (1)Sigma(g) (+), B (1)Delta(g), and B(') (1)Sigma(g) (+) states of C(2), which exactly solve the electronic Schrodinger equation within the space spanned by a 6-31G( *) basis set. Within the D(2h) subgroup used by most electronic structure programs, these states all have the same symmetry ((1)A(g)), and all three states become energetically close for interatomic distances beyond 1.5 A. The quality of several single-reference ab initio methods is assessed by comparison to the benchmark results. Unfortunately, even coupled-cluster theory through perturbative triples using an unrestricted Hartree-Fock reference exhibits large nonparallelity errors (>20 kcal mol(-1)) for the ground state. The excited states are not accurately modeled by any commonly used single-reference method, nor by configuration interaction including full quadruple substitutions. The present benchmarks will be helpful in assessing theoretical methods designed to break bonds in ground and excited electronic states.

  12. Observation of relativistic antihydrogen atoms

    Energy Technology Data Exchange (ETDEWEB)

    Blanford, Glenn DelFosse

    1998-01-01

    An observation of relativistic antihydrogen atoms is reported in this dissertation. Experiment 862 at Fermi National Accelerator Laboratory observed antihydrogen atoms produced by the interaction of a circulating beam of high momentum (3 < p < 9 GeV/c) antiprotons and a jet of molecular hydrogen gas. Since the neutral antihydrogen does not bend in the antiproton source magnets, the detectors could be located far from the interaction point on a beamline tangent to the storage ring. The detection of the antihydrogen is accomplished by ionizing the atoms far from the interaction point. The positron is deflected by a magnetic spectrometer and detected, as are the back to back photons resulting from its annihilation. The antiproton travels a distance long enough for its momentum and time of flight to be measured accurately. A statistically significant sample of 101 antihydrogen atoms has been observed. A measurement of the cross section for {bar H}{sup 0} production is outlined within. The cross section corresponds to the process where a high momentum antiproton causes e{sup +} e{sup -} pair creation near a nucleus with the e{sup +} being captured by the antiproton. Antihydrogen is the first atom made exclusively of antimatter to be detected. The observation experiment's results are the first step towards an antihydrogen spectroscopy experiment which would measure the n = 2 Lamb shift and fine structure.

  13. Calculated Bulk Properties of the Actinide Metals

    DEFF Research Database (Denmark)

    Skriver, Hans Lomholt; Andersen, O. K.; Johansson, B.

    1978-01-01

    Self-consistent relativistic calculations of the electronic properties for seven actinides (Ac-Am) have been performed using the linear muffin-tin orbitals method within the atomic-sphere approximation. Exchange and correlation were included in the local spin-density scheme. The theory explains t...

  14. A Non-Perturbative, Finite Particle Number Approach to Relativistic Scattering Theory

    Energy Technology Data Exchange (ETDEWEB)

    Lindesay, James V

    2001-05-11

    We present integral equations for the scattering amplitudes of three scalar particles, using the Faddeev channel decomposition, which can be readily extended to any finite number of particles of any helicity. The solution of these equations, which have been demonstrated to be calculable, provide a non-perturbative way of obtaining relativistic scattering amplitudes for any finite number of particles that are Lorentz invariant, unitary, cluster decomposable and reduce unambiguously in the non-relativistic limit to the non-relativistic Faddeev equations. The aim of this program is to develop equations which explicitly depend upon physically observable input variables, and do not require ''renormalization'' or ''dressing'' of these parameters to connect them to the boundary states.

  15. Test of Relativistic Gravity for Propulsion at the Large Hadron Collider

    Science.gov (United States)

    Felber, Franklin

    2010-01-01

    A design is presented of a laboratory experiment that could test the suitability of relativistic gravity for propulsion of spacecraft to relativistic speeds. An exact time-dependent solution of Einstein's gravitational field equation confirms that even the weak field of a mass moving at relativistic speeds could serve as a driver to accelerate a much lighter payload from rest to a good fraction of the speed of light. The time-dependent field of ultrarelativistic particles in a collider ring is calculated. An experiment is proposed as the first test of the predictions of general relativity in the ultrarelativistic limit by measuring the repulsive gravitational field of bunches of protons in the Large Hadron Collider (LHC). The estimated `antigravity beam' signal strength at a resonant detector of each proton bunch is 3 nm/s2 for 2 ns during each revolution of the LHC. This experiment can be performed off-line, without interfering with the normal operations of the LHC.

  16. Relativistic contributions to single and double core electron ionization energies of noble gases.

    Science.gov (United States)

    Niskanen, J; Norman, P; Aksela, H; Agren, H

    2011-08-07

    We have performed relativistic calculations of single and double core 1s hole states of the noble gas atoms in order to explore the relativistic corrections and their additivity to the ionization potentials. Our study unravels the interplay of progression of relaxation, dominating in the single and double ionization potentials of the light elements, versus relativistic one-electron effects and quantum electrodynamic effects, which dominate toward the heavy end. The degree of direct relative additivity of the relativistic corrections for the single electron ionization potentials to the double electron ionization potentials is found to gradually improve toward the heavy elements. The Dirac-Coulomb Hamiltonian is found to predict a scaling ratio of ∼4 for the relaxation induced relativistic energies between double and single ionization. Z-scaling of the computed quantities were obtained by fitting to power law. The effects of nuclear size and form were also investigated and found to be small. The results indicate that accurate predictions of double core hole ionization potentials can now be made for elements across the full periodic table.

  17. Relativistic entanglement from relativistic quantum mechanics in the rest-frame instant form of dynamics

    Energy Technology Data Exchange (ETDEWEB)

    Lusanna, Luca, E-mail: lusanna@fi.infn.it [Sezione INFN di Firenze, Polo Scientifico, Via Sansone 1, 50019 Sesto Fiorentino (Italy)

    2011-07-08

    After a review of the problems induced by the Lorentz signature of Minkowski space-time, like the need of a clock synchronization convention for the definition of 3-space and the complexity of the notion of relativistic center of mass, there is the introduction of a new formulation of relativistic quantum mechanics compatible with the theory of relativistic bound states. In it the zeroth postulate of non-relativistic quantum mechanics is not valid and the physics is described in the rest frame by a Hilbert space containing only relative variables. The non-locality of the Poincare' generators imply a kinematical non-locality and non-separability influencing the theory of relativistic entanglement and not connected with the standard quantum non-locality.

  18. Spectra of heavy-light mesons in a relativistic model

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Jing-Bin; Lue, Cai-Dian [Institute of High Energy Physics, Beijing (China)

    2017-05-15

    The spectra and wave functions of heavy-light mesons are calculated within a relativistic quark model which is based on a heavy-quark expansion of the instantaneous Bethe-Salpeter equation by applying the Foldy-Wouthuysen transformation. The kernel we choose is the standard combination of linear scalar and Coulombic vector. The effective Hamiltonian for heavy-light quark-antiquark system is calculated up to order 1/m{sub Q}{sup 2}. Our results are in good agreement with available experimental data except for the anomalous D{sub s0}{sup *}(2317) and D{sub s1}(2460) states. The newly observed heavy-light meson states can be accommodated successfully in the relativistic quark model with their assignments presented. The D{sub sJ}{sup *}(2860) can be interpreted as the vertical stroke 1{sup 3/2}D{sub 1} right angle and vertical stroke 1{sup 5/2}D{sub 3} right angle states being members of the 1D family with J{sup P} = 1{sup -} and 3{sup -}. (orig.)

  19. Spectra of heavy-light mesons in a relativistic model

    Science.gov (United States)

    Liu, Jing-Bin; Lü, Cai-Dian

    2017-05-01

    The spectra and wave functions of heavy-light mesons are calculated within a relativistic quark model which is based on a heavy-quark expansion of the instantaneous Bethe-Salpeter equation by applying the Foldy-Wouthuysen transformation. The kernel we choose is the standard combination of linear scalar and Coulombic vector. The effective Hamiltonian for heavy-light quark-antiquark system is calculated up to order 1/m_Q^2. Our results are in good agreement with available experimental data except for the anomalous D_{s0}^*(2317) and D_{s1}(2460) states. The newly observed heavy-light meson states can be accommodated successfully in the relativistic quark model with their assignments presented. The D_{sJ}^*(2860) can be interpreted as the |1^{3/2}D_1\\rangle and |1^{5/2}D_3\\rangle states being members of the 1D family with J^P=1^- and 3^-.

  20. Relativistic mean-field mass models

    Energy Technology Data Exchange (ETDEWEB)

    Pena-Arteaga, D.; Goriely, S.; Chamel, N. [Universite Libre de Bruxelles, Institut d' Astronomie et d' Astrophysique, CP-226, Brussels (Belgium)

    2016-10-15

    We present a new effort to develop viable mass models within the relativistic mean-field approach with density-dependent meson couplings, separable pairing and microscopic estimations for the translational and rotational correction energies. Two interactions, DD-MEB1 and DD-MEB2, are fitted to essentially all experimental masses, and also to charge radii and infinite nuclear matter properties as determined by microscopic models using realistic interactions. While DD-MEB1 includes the σ, ω and ρ meson fields, DD-MEB2 also considers the δ meson. Both mass models describe the 2353 experimental masses with a root mean square deviation of about 1.1 MeV and the 882 measured charge radii with a root mean square deviation of 0.029 fm. In addition, we show that the Pb isotopic shifts and moments of inertia are rather well reproduced, and the equation of state in pure neutron matter as well as symmetric nuclear matter are in relatively good agreement with existing realistic calculations. Both models predict a maximum neutron-star mass of more than 2.6 solar masses, and thus are able to accommodate the heaviest neutron stars observed so far. However, the new Lagrangians, like all previously determined RMF models, present the drawback of being characterized by a low effective mass, which leads to strong shell effects due to the strong coupling between the spin-orbit splitting and the effective mass. Complete mass tables have been generated and a comparison with other mass models is presented. (orig.)

  1. Atomic Reference Data for Electronic Structure Calculations

    CERN Document Server

    Kotochigova, S; Shirley, E L

    We have generated data for atomic electronic structure calculations, to provide a standard reference for results of specified accuracy under commonly used approximations. Results are presented here for total energies and orbital energy eigenvalues for all atoms from H to U, at microHartree accuracy in the total energy, as computed in the local-density approximation (LDA) the local-spin-density approximation (LSD); the relativistic local-density approximation (RLDA); and scalar-relativistic local-density approximation (ScRLDA).

  2. On the relativistic micro-canonical ensemble and relativistic kinetic theory for N relativistic particles in inertial and non-inertial rest frames

    Science.gov (United States)

    Alba, David; Crater, Horace W.; Lusanna, Luca

    2015-03-01

    A new formulation of relativistic classical mechanics allows a reconsideration of old unsolved problems in relativistic kinetic theory and in relativistic statistical mechanics. In particular a definition of the relativistic micro-canonical partition function is given strictly in terms of the Poincaré generators of an interacting N-particle system both in the inertial and non-inertial rest frames. The non-relativistic limit allows a definition of both the inertial and non-inertial micro-canonical ensemble in terms of the Galilei generators.

  3. Chaos and maps in relativistic rynamical systems

    Directory of Open Access Journals (Sweden)

    L. P. Horwitz

    2000-01-01

    Full Text Available The basic work of Zaslavskii et al showed that the classical non-relativistic electromagnetically kicked oscillator can be cast into the form of an iterative map on the phase space; the resulting evolution contains a stochastic flow to unbounded energy. Subsequent studies have formulated the problem in terms of a relativistic charged particle in interaction with the electromagnetic field. We review the structure of the covariant Lorentz force used to study this problem. We show that the Lorentz force equation can be derived as well from the manifestly covariant mechanics of Stueckelberg in the presence of a standard Maxwell field, establishing a connection between these equations and mass shell constraints. We argue that these relativistic generalizations of the problem are intrinsically inaccurate due to an inconsistency in the structure of the relativistic Lorentz force, and show that a reformulation of the relativistic problem, permitting variations (classically in both the particle mass and the effective “mass” of the interacting electromagnetic field, provides a consistent system of classical equations for describing such processes.

  4. Relativistic mixtures of charged and uncharged particles

    Energy Technology Data Exchange (ETDEWEB)

    Kremer, Gilberto M. [Departamento de Física, Universidade Federal do Paraná, Curitiba (Brazil)

    2014-01-14

    Mixtures of relativistic gases within the framework of Boltzmann equation are analyzed. Three systems are considered. The first one refers to a mixture of uncharged particles by using Grad’s moment method, where the relativistic mixture is characterized by the moments of the distribution functions: particle four-flows, energy-momentum tensors, and third-order moment tensors. In the second Fick’s law for a mixture of relativistic gases of non-disparate rest masses in a Schwarzschild metric are derived from an extension of Marle and McCormack model equations applied to a relativistic truncated Grad’s distribution function, where it is shown the dependence of the diffusion coefficient on the gravitational potential. The third one consists in the derivation of the relativistic laws of Ohm and Fourier for a binary mixtures of electrons with protons and electrons with photons subjected to external electromagnetic fields and in presence of gravitational fields by using the Anderson and Witting model of the Boltzmann equation.

  5. Relativistic Scott correction for atoms and molecules

    DEFF Research Database (Denmark)

    Solovej, Jan Philip; Sørensen, Thomas Østergaard; Spitzer, Wolfgang Ludwig

    2010-01-01

    We prove the first correction to the leading Thomas-Fermi energy for the ground state energy of atoms and molecules in a model where the kinetic energy of the electrons is treated relativistically. The leading Thomas-Fermi energy, established in [25], as well as the correction given here, are of ......We prove the first correction to the leading Thomas-Fermi energy for the ground state energy of atoms and molecules in a model where the kinetic energy of the electrons is treated relativistically. The leading Thomas-Fermi energy, established in [25], as well as the correction given here......, are of semiclassical nature. Our result on atoms and molecules is proved from a general semiclassical estimate for relativistic operators with potentials with Coulomb-like singularities. This semiclassical estimate is obtained using the coherent state calculus introduced in [36]. The paper contains a unified treatment...

  6. Anisotropic Particle Acceleration in Relativistic Shear Layers

    Science.gov (United States)

    Boettcher, Markus; Liang, Edison P.; Fu, Wen

    2017-08-01

    We present results of Particle in Cell (PIC) simulations of relativistic shear layers as relevant to the relativistic jets of acive galactic nuclei and gamma-ray bursts. We study the self-generation of electro-magnetic fields and particle acceleration for various different plasma compositions (electron-ion vs. electron-positron pair vs. hybrid). Special emphasis is placed on the angular distribution of accelerated particles. We find that electron-ion shear layers lead to highly anisotropic particle distributions in the frame of the fast-moving inner spine. The beaming pattern of the highest-energy particles is much narrower than the characteristic beaming angle of 1/Gamma resulting from relativistic aberration of a co-moving isotropic distribution. This may pose a possible solution to the Lorentz-Factor crisis in blazars and explain very hard X-ray / soft gamma-ray spectra of some gamma-ray bursts.

  7. Exact quantisation of the relativistic Hopfield model

    Energy Technology Data Exchange (ETDEWEB)

    Belgiorno, F., E-mail: francesco.belgiorno@polimi.it [Dipartimento di Matematica, Politecnico di Milano, Piazza Leonardo 32, IT-20133 Milano (Italy); INdAM-GNFM (Italy); Cacciatori, S.L., E-mail: sergio.cacciatori@uninsubria.it [Department of Science and High Technology, Università dell’Insubria, Via Valleggio 11, IT-22100 Como (Italy); INFN sezione di Milano, via Celoria 16, IT-20133 Milano (Italy); Dalla Piazza, F., E-mail: f.dallapiazza@gmail.com [Università “La Sapienza”, Dipartimento di Matematica, Piazzale A. Moro 2, I-00185, Roma (Italy); Doronzo, M., E-mail: m.doronzo@uninsubria.it [Department of Science and High Technology, Università dell’Insubria, Via Valleggio 11, IT-22100 Como (Italy)

    2016-11-15

    We investigate the quantisation in the Heisenberg representation of a relativistically covariant version of the Hopfield model for dielectric media, which entails the interaction of the quantum electromagnetic field with the matter dipole fields, represented by a mesoscopic polarisation field. A full quantisation of the model is provided in a covariant gauge, with the aim of maintaining explicit relativistic covariance. Breaking of the Lorentz invariance due to the intrinsic presence in the model of a preferred reference frame is also taken into account. Relativistic covariance forces us to deal with the unphysical (scalar and longitudinal) components of the fields, furthermore it introduces, in a more tricky form, the well-known dipole ghost of standard QED in a covariant gauge. In order to correctly dispose of this contribution, we implement a generalised Lautrup trick. Furthermore, causality and the relation of the model with the Wightman axioms are also discussed.

  8. Nonlinear relativistic plasma resonance: Renormalization group approach

    Energy Technology Data Exchange (ETDEWEB)

    Metelskii, I. I., E-mail: metelski@lebedev.ru [Russian Academy of Sciences, Lebedev Physical Institute (Russian Federation); Kovalev, V. F., E-mail: vfkvvfkv@gmail.com [Dukhov All-Russian Research Institute of Automatics (Russian Federation); Bychenkov, V. Yu., E-mail: bychenk@lebedev.ru [Russian Academy of Sciences, Lebedev Physical Institute (Russian Federation)

    2017-02-15

    An analytical solution to the nonlinear set of equations describing the electron dynamics and electric field structure in the vicinity of the critical density in a nonuniform plasma is constructed using the renormalization group approach with allowance for relativistic effects of electron motion. It is demonstrated that the obtained solution describes two regimes of plasma oscillations in the vicinity of the plasma resonance— stationary and nonstationary. For the stationary regime, the spatiotemporal and spectral characteristics of the resonantly enhanced electric field are investigated in detail and the effect of the relativistic nonlinearity on the spatial localization of the energy of the plasma relativistic field is considered. The applicability limits of the obtained solution, which are determined by the conditions of plasma wave breaking in the vicinity of the resonance, are established and analyzed in detail for typical laser and plasma parameters. The applicability limits of the earlier developed nonrelativistic theories are refined.

  9. Theory of relativistic radiation reflection from plasmas

    Science.gov (United States)

    Gonoskov, Arkady

    2018-01-01

    We consider the reflection of relativistically strong radiation from plasma and identify the physical origin of the electrons' tendency to form a thin sheet, which maintains its localisation throughout its motion. Thereby, we justify the principle of relativistic electronic spring (RES) proposed in [Gonoskov et al., Phys. Rev. E 84, 046403 (2011)]. Using the RES principle, we derive a closed set of differential equations that describe the reflection of radiation with arbitrary variation of polarization and intensity from plasma with an arbitrary density profile for an arbitrary angle of incidence. We confirm with ab initio PIC simulations that the developed theory accurately describes laser-plasma interactions in the regime where the reflection of relativistically strong radiation is accompanied by significant, repeated relocation of plasma electrons. In particular, the theory can be applied for the studies of plasma heating and coherent and incoherent emissions in the RES regime of high-intensity laser-plasma interaction.

  10. Fitting coupled potential energy surfaces for large systems: method and construction of a 3-state representation for phenol photodissociation in the full 33 internal degrees of freedom using multireference configuration interaction determined data.

    Science.gov (United States)

    Zhu, Xiaolei; Yarkony, David R

    2014-01-14

    A recently reported algorithm for representing adiabatic states coupled by conical intersections using a quasi-diabatic state Hamiltonian in four and five atom systems is extended to treat nonadiabatic processes in considerably larger molecules. The method treats all internal degrees of freedom and uses electronic structure data from ab initio multireference configuration interaction wave functions with nuclear configuration selection based on quasi-classical surface hopping trajectories. The method is shown here to be able to treat ∼30 internal degrees of freedom including dissociative and large amplitude internal motion. Two procedures are introduced which are essential to the algorithm, a null space projector which removes basis functions from the fitting process until they are needed and a partial diagonalization technique which allows for automated, but accurate, treatment of the vicinity of extended seams of conical intersections of two or more states. These procedures are described in detail. The method is illustrated using the photodissociaton of phenol, C6H5OH(X̃(1)A(')) + hv → C6H5OH(Ã(1)A('), B̃(1)A('')) → C6H5O(X̃(2)B1, Ã(2)B2) + H as a test case. Ab initio electronic structure data for the 1,2,3(1)A states of phenol, which are coupled by conical intersections, are obtained from multireference first order configuration interaction wave functions. The design of bases to simultaneously treat large amplitude motion and dissociation is described, as is the ability of the fitting procedure to smooth the irregularities in the electronic energies attributable to the orbital changes that are inherent to nonadiabatic processes.

  11. Relativistic quantum mechanics of a Dirac oscillator

    CERN Document Server

    Martines y Romero, R P; Salas-Brito, A L

    1995-01-01

    The Dirac oscillator is an exactly soluble model recently introduced in the context of many particle models in relativistic quantum mechanics. The model has been also considered as an interaction term for modelling quark confinement in quantum chromodynamics. These considerations should be enough for demonstrating that the Dirac oscillator can be an excellent example in relativistic quantum mechanics. In this paper we offer a solution to the problem and discuss some of its properties. We also discuss a physical picture for the Dirac oscillator's non-standard interaction, showing how it arises on describing the behaviour of a neutral particle carrying an anomalous magnetic moment and moving inside a uniformly charged sphere. (author)

  12. Fermi Acceleration in driven relativistic billiards

    Energy Technology Data Exchange (ETDEWEB)

    Pinto, Rafael S., E-mail: rsoaresp@ifi.unicamp.br [Instituto de Fisica ' Gleb Wataghin' , Universidade Estadual de Campinas, 13083-970, Campinas, SP (Brazil); Letelier, Patricio S. [Departamento de Matematica Aplicada, Instituto de Matematica, Estatistica e Computacao Cientifica, Universidade Estadual de Campinas, 13083-859, Campinas, SP (Brazil)

    2011-08-29

    We show numerical experiments of driven billiards using special relativity. We have the remarkable fact that for the relativistic driven circular and annular concentric billiards, depending on initial conditions and parameters, we observe Fermi Acceleration, absent in the Newtonian case. The velocity for these cases tends to the speed of light very quickly. We find that for the annular eccentric billiard the initial velocity grows for a much longer time than the concentric annular billiard until it asymptotically reach c. -- Highlights: → Fermi Acceleration is studied for relativistic driven billiards. → We studied regular and chaotic billiards with different parameters. → Fermi Acceleration is present even for static regular billiards.

  13. Relativistic Celestial Mechanics of the Solar System

    CERN Document Server

    Kopeikin, Sergei; Kaplan, George

    2011-01-01

    This authoritative book presents the theoretical development of gravitational physics as it applies to the dynamics of celestial bodies and the analysis of precise astronomical observations. In so doing, it fills the need for a textbook that teaches modern dynamical astronomy with a strong emphasis on the relativistic aspects of the subject produced by the curved geometry of four-dimensional spacetime. The first three chapters review the fundamental principles of celestial mechanics and of special and general relativity. This background material forms the basis for understanding relativistic r

  14. Radiation from accelerated particles in relativistic jets with shocks, shear-flow, and reconnection

    Directory of Open Access Journals (Sweden)

    Nishikawa K.-I.

    2013-12-01

    Full Text Available We have investigated particle acceleration and shock structure associated with an unmagnetized relativistic jet propagating into an unmagnetized plasma for electron-positron and electron-ion plasmas. Strong magnetic fields generated in the trailing jet shock lead to transverse deflection and acceleration of the electrons. We have self-consistently calculated the radiation from the electrons accelerated in the turbulent magnetic fields for different jet Lorentz factors. We find that the synthetic spectra depend on the bulk Lorentz factor of the jet, the jet temperature, and the strength of the magnetic fields generated in the shock. We have investigated the generation of magnetic fields associated with velocity shear between an unmagnetized relativistic (core jet and an unmagnetized sheath plasma. We discuss particle acceleration in collimation shocks for AGN jets formed by relativistic MHD simulations. Our calculated spectra should lead to a better understanding of the complex time evolution and/or spectral structure from gamma-ray bursts, relativistic jets, and supernova remnants.

  15. Cavity loss factors of non-relativistic beams for Project X

    Energy Technology Data Exchange (ETDEWEB)

    Lunin, A.; Yakovlev, V.; Kazakov, S.; /Fermilab

    2011-03-01

    Cavity loss factor calculation is an important part of the total cryolosses estimation for the super conductive (SC) accelerating structures. There are two approaches how to calculate cavity loss factors, the integration of a wake potential over the bunch profile and the addition of loss factors for individual cavity modes. We applied both methods in order to get reliable results for non-relativistic beam. The time domain CST solver was used for a wake potential calculation and the frequency domain HFSS code was used for the cavity eigenmodes spectrum findings. Finally we present the results of cavity loss factors simulations for a non-relativistic part of the ProjectX and analyze it for various beam parameters.

  16. A full-potential approach to the relativistic single-site Green's function.

    Science.gov (United States)

    Liu, Xianglin; Wang, Yang; Eisenbach, Markus; Malcolm Stocks, G

    2016-09-07

    One major purpose of studying the single-site scattering problem is to obtain the scattering matrices and differential equation solutions indispensable to multiple scattering theory (MST) calculations. On the other hand, the single-site scattering itself is also appealing because it reveals the physical environment experienced by electrons around the scattering center. In this paper we demonstrate a new formalism to calculate the relativistic full-potential single-site Green's function. We implement this method to calculate the single-site density of states and electron charge densities. The code is rigorously tested and with the help of Krein's theorem, the relativistic effects and full potential effects in group V elements and noble metals are thoroughly investigated.

  17. Computational Chemistry for Nuclear Waste Characterization and Processing: Relativistic Quantum Chemistry of Actinides

    Energy Technology Data Exchange (ETDEWEB)

    Harrison, Robert J.; Bernholdt, David E.; Bursten, Bruce E.; De Jong, Wibe A.; Dixon, David A.; Dyall, Kenneth G.; Ermler, Walter V.; Fann, George I.; Hay, P. J.; Ismail Buchner, Nina; Kendall, Ricky A.; Li, Jun; Marino, Maria M.; Marsden, Colin J.; Martin, Richard L.; Minkoff, Michael; Nichols, Jeffrey A.; Nieplocha, Jarek; Pitzer, Russell M.; Pratt, Lawrence R.; Schreckenbach, Hans Georg; Seth, Michael C.; Shepard, Ron; Stevens, Rick L.; Tilson, Jeffrey L.; Wagner, Albert F.; Wang, Qi; Windus, Theresa L.; Wong, Adrian; Zhang, Zhiyong

    2002-08-02

    In the course of the 3 years we have conducted calculations on molecular structures containing actinides, lanthanides, and other heavy elements. Our calculations were done at the relativistically-correct, all-electron, 4-component calculations (DHF, MP2, and CCSD(T)), using density functional theory (DFT) with relativistic effective core potentials (RECPs), and various other methodologies. We studied the ground- and excited state structures, energetics, vibrational frequencies, and NMR, excitation and ionization spectra. In addition a considerable amount of codes and methodologies have been developed during the GC3 period, enabling us to do the extensive research described in this final report, and providing researchers worldwide with new computational chemistry tools. In this section we will give a brief overview of our activities and accomplishments, grouped by each research institution. A more extensive overview can be found in the appendices containing the full yearly reports.

  18. Contribution of relativistic quantum chemistry to electron’s electric dipole moment for CP violation

    Energy Technology Data Exchange (ETDEWEB)

    Abe, M., E-mail: minoria@tmu.ac.jp; Gopakumar, G., E-mail: gopakumargeetha@gmail.com; Hada, M., E-mail: hada@tmu.ac.jp [Tokyo Metropolitan University, 1-1, Minami-Osawa, Hachioji-city, Tokyo 192-0397 (Japan); JST, CREST, 4-1-8 Honcho, Kawaguchi, Saitama 332-0012 (Japan); Das, B. P., E-mail: das@iiap.ernet.in [Indian Institute of Astrophysics, Bangalore 560 034 (India); Tatewaki, H., E-mail: htatewak@nsc.nagoya-cu.ac.jp [Graduate School of Natural Sciences, Nagoya City University, Nagoya, Aichi 467-8501 (Japan); Mukherjee, D., E-mail: pcdm@iacs.res.in [Raman Center of Atomic, Molecular and Optical Sciences, IACS, Kolkata 700 032 (India)

    2015-12-31

    The search for the electric dipole moment of the electron (eEDM) is important because it is a probe of Charge Conjugation-Parity (CP) violation. It can also shed light on new physics beyond the standard model. It is not possible to measure the eEDM directly. However, the interaction energy involving the effective electric field (E{sub eff}) acting on an electron in a molecule and the eEDM can be measured. This quantity can be combined with E{sub eff}, which is calculated by relativistic molecular orbital theory to determine eEDM. Previous calculations of E{sub eff} were not sufficiently accurate in the treatment of relativistic or electron correlation effects. We therefore developed a new method to calculate E{sub eff} based on a four-component relativistic coupled-cluster theory. We demonstrated our method for YbF molecule, one of the promising candidates for the eEDM search. Using very large basis set and without freezing any core orbitals, we obtain a value of 23.1 GV/cm for E{sub eff} in YbF with an estimated error of less than 10%. The error is assessed by comparison of our calculations and experiments for two properties relevant for E{sub eff}, permanent dipole moment and hyperfine coupling constant. Our method paves the way to calculate properties of various kinds of molecules which can be described by a single-reference wave function.

  19. Is a Relativistic Thermodynamics possible?; Es posible una Termodinamica Relativista?

    Energy Technology Data Exchange (ETDEWEB)

    Guemez, J.

    2010-07-01

    A brief historical review the literature on developing the concept of Thermodynamics Relativistic. We analyze two examples of application of the Galilean and Relativistic Thermodynamics discussed under what circumstances could build a relativistic Thermodynamics Lorentz covariant with physical sense. (Author) 19 refs.

  20. Quantum ion-acoustic solitary waves in weak relativistic plasma

    Indian Academy of Sciences (India)

    A linear dispersion relation is also obtained taking into account the relativistic effect. The properties of quantum ion-acoustic solitary waves, obtained from the deformed KdV equation, are studied taking into account the quantum mechanical effects in the weak relativistic limit. It is found that relativistic effects significantly ...

  1. On the Raman instability in degenerate relativistic plasmas

    Science.gov (United States)

    Chanturia, G. T.; Berezhiani, V. I.; Mahajan, S. M.

    2017-07-01

    The stimulated Raman scattering instability in a fully degenerate electron plasma is studied applying relativistic hydrodynamic and Maxwell equations. We demonstrated that the instability develops for weakly and strongly relativistic degenerate plasmas. It is shown that in the field of strong radiation, a degenerate relativistic plasma effectively responses as in the case of weak degeneracy.

  2. The Los Alamos suite of relativistic atomic physics codes

    Science.gov (United States)

    Fontes, C. J.; Zhang, H. L.; Abdallah, J., Jr.; Clark, R. E. H.; Kilcrease, D. P.; Colgan, J.; Cunningham, R. T.; Hakel, P.; Magee, N. H.; Sherrill, M. E.

    2015-07-01

    The Los Alamos suite of relativistic atomic physics codes is a robust, mature platform that has been used to model highly charged ions in a variety of ways. The suite includes capabilities for calculating data related to fundamental atomic structure, as well as the processes of photoexcitation, electron-impact excitation and ionization, photoionization and autoionization within a consistent framework. These data can be of a basic nature, such as cross sections and collision strengths, which are useful in making predictions that can be compared with experiments to test fundamental theories of highly charged ions, such as quantum electrodynamics. The suite can also be used to generate detailed models of energy levels and rate coefficients, and to apply them in the collisional-radiative modeling of plasmas over a wide range of conditions. Such modeling is useful, for example, in the interpretation of spectra generated by a variety of plasmas. In this work, we provide a brief overview of the capabilities within the Los Alamos relativistic suite along with some examples of its application to the modeling of highly charged ions.

  3. VARIABILITY IN ACTIVE GALACTIC NUCLEI FROM PROPAGATING TURBULENT RELATIVISTIC JETS

    Energy Technology Data Exchange (ETDEWEB)

    Pollack, Maxwell; Pauls, David; Wiita, Paul J., E-mail: wiitap@tcnj.edu [Department of Physics, The College of New Jersey P.O. Box 7718, Ewing, NJ 08628-0718 (United States)

    2016-03-20

    We use the Athena hydrodynamics code to model propagating two-dimensional relativistic jets as approximations to the growth of radio-loud active galactic nuclei for various input jet velocities and jet-to-ambient matter density ratios. Using results from these simulations we estimate the changing synchrotron emission by summing the fluxes from a vertical strip of zones behind the reconfinement shock, which is nearly stationary, and from which a substantial portion of the flux variability should arise. We explore a wide range of timescales by considering two light curves from each simulation; one uses a relativistic turbulence code with bulk velocities taken from our simulations as input, while the other uses the bulk velocity data to compute fluctuations caused by variations in the Doppler boosting due to changes in the direction and the speed of the flow through all zones in the strip. We then calculate power spectral densities (PSDs) from the light curves for both turbulent and bulk velocity origins for variability. The range of the power-law slopes of the PSDs for the turbulence induced variations is −1.8 to −2.3, while for the bulk velocity produced variations this range is −2.1 to −2.9; these are in agreement with most observations. When superimposed, these power spectra span a very large range in frequency (about five decades), with the turbulent fluctuations yielding most of the shorter timescale variations and the bulk flow changes dominating the longer periods.

  4. Relativistic shocks and mach cones in viscous gluon matter

    Energy Technology Data Exchange (ETDEWEB)

    Bouras, Ioannis; Xu, Zhe; El, Andrej; Fochler, Oliver; Lauciello, Francesco; Greiner, Carsten [Institut fuer Theoretische Physik, Johann Wolfgang Goethe Universitaet, Frankfurt am Main (Germany); Molnar, Etele; Niemi, Harri [Frankfurt Institute for Advanced Studies, Frankfurt am Main (Germany); Rischke, Dirk [Institut fuer Theoretische Physik, Johann Wolfgang Goethe Universitaet, Frankfurt am Main (Germany); Frankfurt Institute for Advanced Studies, Frankfurt am Main (Germany)

    2010-07-01

    We solve the relativistic Riemann problem in a viscous and heat conducting gluon matter employing a microscopic parton cascade and compare it to the relativistic causal dissipative fluid dynamical model of Israel and Stewart. We demonstrate the transition from ideal to viscous shocks by varying the shear viscosity to entropy density ratio {eta}/s from zero to infinity and compare different dissipative quantities. We show the behaviour and the break down of viscous hydrodynamics for an out of equilibrium state using the local Knudsen number. Employing the microscopic parton cascade we investigate the evolution of mach cones in a viscous gluonic matter. We see that for {eta}/s=1/4{pi} a collective behaviour of the medium is observed, resulting in cone structure and diffusion wake of the energy density profile. The mach cone vanish very fast when increasing the shear viscosity in the medium. As comparison to experiments two-particle correlations are shown. We have derived third-order corrections to the Israel-Stewart theory using the entropy principle. This new equation is solved for one-dimensional Bjorken boost-invariant expansion. The scaling solutions for various values of {eta}/s are shown to be in very good agreement with those obtained from kinetic transport calculations.

  5. Some remarks on relativistic diffusion and the spectral dimension criterion

    Science.gov (United States)

    Muniz, C. R.; Cunha, M. S.; Filho, R. N. Costa; Bezerra, V. B.

    2015-01-01

    The spectral dimension ds for high energies is calculated using the Relativistic Schrödinger Equation Analytically Continued (RSEAC) instead of the so-called Telegraph's equation (TE), in both ultraviolet (UV) and infrared (IR) regimens. Regarding the TE, the recent literature presents difficulties related to its stochastic derivation and interpretation, advocating the use of the RSEAC to properly describe the relativistic diffusion phenomena. Taking into account that the Lorentz symmetry is broken in UV regime at Lifshitz point, we show that there exists a degeneracy in very high energies, meaning that both the RSEAC and TE correctly describe the diffusion processes at these energy scales, at least under the spectral dimension criterion. In fact, both the equations yield the same result, namely, ds=2 , a dimensional reduction that is compatible with several theories of quantum gravity. This result is reached even when one takes into account a cosmological model, as for example, the de Sitter universe. On the other hand, in the IR regimen, such degeneracy is lifted in favor of the approach via TE, due to the fact that only this equation provides the correct value for ds, which is equal to the actual number of spacetime dimensions, i.e., ds=4 , while RSEAC yields ds=3 , so that a diffusing particle described by this method experiences a three-dimensional spacetime.

  6. The N body problem. Relativistic approach; Le probleme a N corps. Approches relativistes

    Energy Technology Data Exchange (ETDEWEB)

    Mathiot, Jean-Francois [Laboratoire de Physique Corpusculaire, IN2P3/CNRS, Universite Blaise Pascal, F-63177 Aubiere Cedex (France); Collaboration: La Direction des Sciences de la Matiere du CEA (FR); Le Fonds National de la Recherche Scientifique de Belgique (BE)

    1998-12-31

    We shall detail in a first part the physical motivation of relativistic approaches by investigating the underlying elementary mechanisms. The second part will be devoted to the understanding of nuclear matter and finite nuclei in these approaches. We shall see, in particular, how one can easily derive an effective interaction of Skyrme type from these relativistic approaches. We shall discuss, in the third part, some recent results obtained in nuclear structure. (author) 20 refs., 8 figs., 2 tabs.

  7. Workshop on gravitational waves and relativistic astrophysics

    Indian Academy of Sciences (India)

    Discussions related to gravitational wave experiments viz. LIGO and LISA as well as to observations of supermassive black holes dominated the workshop sessions on gravitational waves and relativistic astrophysics in the ICGC-2004. A summary of seven papers that were presented in these workshop sessions has been ...

  8. Deriving relativistic Bohmian quantum potential using variational ...

    Indian Academy of Sciences (India)

    Deriving relativistic Bohmian quantum potential using variational method and conformal transformations ... We obtain this potential by using variational method. Then ... Department of Physics, Ferdowsi University of Mashhad, Azadi Sq., Mashhad, Iran; School of Physics, Institute for Research in Fundamental Science (IPM), ...

  9. Photon and gluon emission in relativistic plasmas

    Science.gov (United States)

    Arnold, Peter; Moore, Guy D.; Yaffe, Laurence G.

    2002-06-01

    We recently derived, using diagrammatic methods, the leading-order hard photon emission rate in ultra-relativistic plasmas. This requires a correct treatment of multiple scattering effects which limit the coherence length of emitted radiation (the Landau-Pomeranchuk-Migdal effect). In this paper, we provide a more physical derivation of this result, and extend the treatment to the case of gluon radiation.

  10. Relativistic atomic physics at the SSC

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1990-12-31

    This report discusses the following proposed work for relativistic atomic physics at the Superconducting Super Collider: Beam diagnostics; atomic physics research; staffing; education; budget information; statement concerning matching funds; description and justification of major items of equipment; statement of current and pending support; and assurance of compliance.

  11. Deriving relativistic Bohmian quantum potential using variational ...

    Indian Academy of Sciences (India)

    ever, this postulate (locality) breaks down and opens new windows for understanding our. Universe. 2.2 Relativistic quantum potential for a spinless particle. Following Bohm, we substitute the polar form of the wave function into the Klein–Gordon equation to derive the quantum mechanical Hamilton–Jacobi equation for a ...

  12. Instabilities in a Relativistic Viscous Fluid

    Science.gov (United States)

    Corona-Galindo, M. G.; Klapp, J.; Vazquez, A.

    1990-11-01

    RESUMEN. Las ecuaciones hidrodinamicas de un fluido imperfecto relativista son resueltas, y los modos hidrodinamicos son analizados con el prop6sito de estabiecer correlaciones con las estructuras cosmol6gicas. ABSTRACT The hydrodynamical equations of a relativistic imperfect fluid are solved, and the hydrodynamical modes are analysed with the aim to establish correlations with cosmological structures. Ke, words: COSMOLOGY - HYDRODYNAMICS - RELATIVITY

  13. Solutions to the relativistic precession model

    NARCIS (Netherlands)

    Ingram, A.; Motta, S.

    2014-01-01

    The relativistic precession model (RPM) can be used to obtain a precise measurement of the mass and spin of a black hole when the appropriate set of quasi-periodic oscillations is detected in the power-density spectrum of an accreting black hole. However, in previous studies, the solution of the RPM

  14. Kinematical Diagrams for Conical Relativistic Jets

    Indian Academy of Sciences (India)

    ... a variety of radio observations of blazar jets. In addition to uniform jet flows (i.e., those having a uniform bulk Lorentz factor, ), computational results are also presented for stratified jets where an ultra-relativistic central spine along the jet axis is surrounded by a slower moving sheath, possibly arising from a velocity shear.

  15. Relativistic energy loss in a dispersive medium

    DEFF Research Database (Denmark)

    Houlrik, Jens Madsen

    2002-01-01

    The electron energy loss in a dispersive medium is obtained using macroscopic electrodynamics taking advantage of a static frame of reference. Relativistic corrections are described in terms of a dispersive Lorentz factor obtained by replacing the vacuum velocity c by the characteristic phase...

  16. Astrophysical Applications of Relativistic Shear Flows

    Science.gov (United States)

    Liang, Edison

    2017-10-01

    We review recent PIC simulation results of relativistic collisionless shear flows in both 2D and 3D. We apply these results to spine-sheath jet models of blazars and gamma-ray-bursters, and to shear flows near the horizon of rapidly spinning black holes. We will discuss magnetic field generation, particle energization and radiation processes, and their observational consequences.

  17. Relativistic heavy-ion physics: Experimental overview

    Indian Academy of Sciences (India)

    highlights from the first run of the relativistic heavy-ion collider at BNL and the 15 year research programme at the super ... The energy dependence of the charged particle density dNch/dη, normalized to the num- ..... meson both in the dropping mass and the collision broadening scenarios, is almost as high at RHIC as at ...

  18. Relativistic 2-body Bottomonium decays

    Directory of Open Access Journals (Sweden)

    Barducci Andrea

    2017-01-01

    Full Text Available We calculate some radiative decays of Bottomonium in a covariant scheme for two interacting fermions. We present their branching ratios and their absolute widths. A comparison with experimental data shows a good agreement with our results. Some decays for which data are not available are compared with other theoretical previsions.

  19. Structure and thermodynamic properties of relativistic electron gases.

    Science.gov (United States)

    Liu, Yu; Wu, Jianzhong

    2014-07-01

    Relativistic effect is important in many quantum systems but theoretically complicated from both fundamental and practical perspectives. Herein we introduce an efficient computational procedure to predict the structure and energetic properties of relativistic quantum systems by mapping the Pauli principle into an effective pairwise-additive potential such that the properties of relativistic nonquantum systems can be readily predicted from conventional liquid-state methods. We applied our theoretical procedure to relativistic uniform electron gases and compared the pair correlation functions with those for systems of nonrelativistic electrons. A simple analytical expression has been developed to correlate the exchange-correlation free energy of relativistic uniform electron systems.

  20. Advanced relativistic VLBI model for geodesy

    Science.gov (United States)

    Soffel, Michael; Kopeikin, Sergei; Han, Wen-Biao

    2017-07-01

    Our present relativistic part of the geodetic VLBI model for Earthbound antennas is a consensus model which is considered as a standard for processing high-precision VLBI observations. It was created as a compromise between a variety of relativistic VLBI models proposed by different authors as documented in the IERS Conventions 2010. The accuracy of the consensus model is in the picosecond range for the group delay but this is not sufficient for current geodetic purposes. This paper provides a fully documented derivation of a new relativistic model having an accuracy substantially higher than one picosecond and based upon a well accepted formalism of relativistic celestial mechanics, astrometry and geodesy. Our new model fully confirms the consensus model at the picosecond level and in several respects goes to a great extent beyond it. More specifically, terms related to the acceleration of the geocenter are considered and kept in the model, the gravitational time-delay due to a massive body (planet, Sun, etc.) with arbitrary mass and spin-multipole moments is derived taking into account the motion of the body, and a new formalism for the time-delay problem of radio sources located at finite distance from VLBI stations is presented. Thus, the paper presents a substantially elaborated theoretical justification of the consensus model and its significant extension that allows researchers to make concrete estimates of the magnitude of residual terms of this model for any conceivable configuration of the source of light, massive bodies, and VLBI stations. The largest terms in the relativistic time delay which can affect the current VLBI observations are from the quadrupole and the angular momentum of the gravitating bodies that are known from the literature. These terms should be included in the new geodetic VLBI model for improving its consistency.

  1. Physical and Relativistic Numerical Cosmology

    Directory of Open Access Journals (Sweden)

    Peter Anninos

    1998-01-01

    Full Text Available In order to account for the observable Universe, any comprehensive theory or model of cosmology must draw from many disciplines of physics, including gauge theories of strong and weak interactions, the hydrodynamics and microphysics of baryonic matter, electromagnetic fields, and spacetime curvature, for example. Although it is difficult to incorporate all these physical elements into a single complete model of our Universe, advances in computing methods and technologies have contributed significantly towards our understanding of cosmological models, the Universe, and astrophysical processes within them. A sample of numerical calculations addressing specific issues in cosmology are reviewed in this article: from the Big Bang singularity dynamics to the fundamental interactions of gravitational waves; from the quark--hadron phase transition to the large scale structure of the Universe. The emphasis, although not exclusively, is on those calculations designed to test different models of cosmology against the observed Universe.

  2. Physical and Relativistic Numerical Cosmology.

    Science.gov (United States)

    Anninos, Peter

    1998-01-01

    In order to account for the observable Universe, any comprehensive theory or model of cosmology must draw from many disciplines of physics, including gauge theories of strong and weak interactions, the hydrodynamics and microphysics of baryonic matter, electromagnetic fields, and spacetime curvature, for example. Although it is difficult to incorporate all these physical elements into a single complete model of our Universe, advances in computing methods and technologies have contributed significantly towards our understanding of cosmological models, the Universe, and astrophysical processes within them. A sample of numerical calculations addressing specific issues in cosmology are reviewed in this article: from the Big Bang singularity dynamics to the fundamental interactions of gravitational waves; from the quark-hadron phase transition to the large scale structure of the Universe. The emphasis, although not exclusively, is on those calculations designed to test different models of cosmology against the observed Universe.

  3. Leading order relativistic chiral nucleon-nucleon interaction

    Science.gov (United States)

    Ren, Xiu-Lei; Li, Kai-Wen; Geng, Li-Sheng; Long, Bingwei; Ring, Peter; Meng, Jie

    2018-01-01

    Motivated by the successes of relativistic theories in studies of atomic/molecular and nuclear systems and the need for a relativistic chiral force in relativistic nuclear structure studies, we explore a new relativistic scheme to construct the nucleon-nucleon interaction in the framework of covariant chiral effective field theory. The chiral interaction is formulated up to leading order with covariant power counting and a Lorentz invariant chiral Lagrangian. We find that the relativistic scheme induces all six spin operators needed to describe the nuclear force. A detailed investigation of the partial wave potentials shows a better description of the {}1S0 and {}3P0 phase shifts than the leading order Weinberg approach, and similar to that of the next-to-leading order Weinberg approach. For the other partial waves with angular momenta J≥slant 1, the relativistic results are almost the same as their leading order non-relativistic counterparts. )

  4. GAMMA-RAY BURST DYNAMICS AND AFTERGLOW RADIATION FROM ADAPTIVE MESH REFINEMENT, SPECIAL RELATIVISTIC HYDRODYNAMIC SIMULATIONS

    Energy Technology Data Exchange (ETDEWEB)

    De Colle, Fabio; Ramirez-Ruiz, Enrico [Astronomy and Astrophysics Department, University of California, Santa Cruz, CA 95064 (United States); Granot, Jonathan [Racah Institute of Physics, Hebrew University, Jerusalem 91904 (Israel); Lopez-Camara, Diego, E-mail: fabio@ucolick.org [Instituto de Ciencias Nucleares, Universidad Nacional Autonoma de Mexico, Ap. 70-543, 04510 D.F. (Mexico)

    2012-02-20

    We report on the development of Mezcal-SRHD, a new adaptive mesh refinement, special relativistic hydrodynamics (SRHD) code, developed with the aim of studying the highly relativistic flows in gamma-ray burst sources. The SRHD equations are solved using finite-volume conservative solvers, with second-order interpolation in space and time. The correct implementation of the algorithms is verified by one-dimensional (1D) and multi-dimensional tests. The code is then applied to study the propagation of 1D spherical impulsive blast waves expanding in a stratified medium with {rho}{proportional_to}r{sup -k}, bridging between the relativistic and Newtonian phases (which are described by the Blandford-McKee and Sedov-Taylor self-similar solutions, respectively), as well as to a two-dimensional (2D) cylindrically symmetric impulsive jet propagating in a constant density medium. It is shown that the deceleration to nonrelativistic speeds in one dimension occurs on scales significantly larger than the Sedov length. This transition is further delayed with respect to the Sedov length as the degree of stratification of the ambient medium is increased. This result, together with the scaling of position, Lorentz factor, and the shock velocity as a function of time and shock radius, is explained here using a simple analytical model based on energy conservation. The method used for calculating the afterglow radiation by post-processing the results of the simulations is described in detail. The light curves computed using the results of 1D numerical simulations during the relativistic stage correctly reproduce those calculated assuming the self-similar Blandford-McKee solution for the evolution of the flow. The jet dynamics from our 2D simulations and the resulting afterglow light curves, including the jet break, are in good agreement with those presented in previous works. Finally, we show how the details of the dynamics critically depend on properly resolving the structure of the

  5. Gamma-Ray Burst Dynamics and Afterglow Radiation from Adaptive Mesh Refinement, Special Relativistic Hydrodynamic Simulations

    Science.gov (United States)

    De Colle, Fabio; Granot, Jonathan; López-Cámara, Diego; Ramirez-Ruiz, Enrico

    2012-02-01

    We report on the development of Mezcal-SRHD, a new adaptive mesh refinement, special relativistic hydrodynamics (SRHD) code, developed with the aim of studying the highly relativistic flows in gamma-ray burst sources. The SRHD equations are solved using finite-volume conservative solvers, with second-order interpolation in space and time. The correct implementation of the algorithms is verified by one-dimensional (1D) and multi-dimensional tests. The code is then applied to study the propagation of 1D spherical impulsive blast waves expanding in a stratified medium with ρvpropr -k , bridging between the relativistic and Newtonian phases (which are described by the Blandford-McKee and Sedov-Taylor self-similar solutions, respectively), as well as to a two-dimensional (2D) cylindrically symmetric impulsive jet propagating in a constant density medium. It is shown that the deceleration to nonrelativistic speeds in one dimension occurs on scales significantly larger than the Sedov length. This transition is further delayed with respect to the Sedov length as the degree of stratification of the ambient medium is increased. This result, together with the scaling of position, Lorentz factor, and the shock velocity as a function of time and shock radius, is explained here using a simple analytical model based on energy conservation. The method used for calculating the afterglow radiation by post-processing the results of the simulations is described in detail. The light curves computed using the results of 1D numerical simulations during the relativistic stage correctly reproduce those calculated assuming the self-similar Blandford-McKee solution for the evolution of the flow. The jet dynamics from our 2D simulations and the resulting afterglow light curves, including the jet break, are in good agreement with those presented in previous works. Finally, we show how the details of the dynamics critically depend on properly resolving the structure of the relativistic flow.

  6. Electronic states and nature of bonding of the molecule PdGe by all electron ab initio HF–CI calculations and mass spectrometric equilibrium experiments

    DEFF Research Database (Denmark)

    Shim, Irene; Kingcade, Joseph E. , Jr.; Gingerich, Karl A.

    1986-01-01

    In the present work we present all-electron ab initio Hartree–Fock (HF) and configuration interaction (CI) calculations of six electronic states of the PdGe molecule. The molecule is predicted to have a 3Pi ground state and two low-lying excited states 3Sigma− and 1Sigma+. The electronic structure...

  7. Electromagnetic Forces on a Relativistic Spacecraft in the Interstellar Medium

    Science.gov (United States)

    Hoang, Thiem; Loeb, Abraham

    2017-10-01

    A relativistic spacecraft of the type envisioned by the Breakthrough Starshot initiative will inevitably become charged through collisions with interstellar particles and UV photons. Interstellar magnetic fields would therefore deflect the trajectory of the spacecraft. We calculate the expected deflection for typical interstellar conditions. We also find that the charge distribution of the spacecraft is asymmetric, producing an electric dipole moment. The interaction between the moving electric dipole and the interstellar magnetic field is found to produce a large torque, which can result in fast oscillation of the spacecraft around the axis perpendicular to the direction of motion, with a period of ˜0.5 hr. We then study the spacecraft rotation arising from impulsive torques by dust bombardment. Finally, we discuss the effect of the spacecraft rotation and suggest several methods to mitigate it.

  8. Coherent radiation of relativistic electrons in dielectric fibers

    Energy Technology Data Exchange (ETDEWEB)

    Naumenko, G., E-mail: naumenko@tpu.ru; Potylitsyn, A.; Bleko, V.; Soboleva, V.

    2015-07-15

    The properties of different types of radiation, such as diffraction and Cherenkov radiation, induced by an electromagnetic field of a relativistic electron in optical fibers were calculated by Artru and Ray (2013). These authors have showed a difference of the considered radiation from the traditional radiation mechanisms, such as transition and diffraction radiation. In this paper we present the results of experimental investigations of this phenomenon in millimeter wavelength region. The spectral characteristics and radiation yield depending on the impact-parameter of fibers relative to the electron beam were investigated and compared with backward diffraction radiation for similar conditions. The influence of a fiber curvature on the generated radiation transmission in agreement with theoretical prediction was shown. The role of evanescent waves in the radiation generation and transport in fibers was experimentally investigated using the millimeter wavelength emitter.

  9. Stopping of relativistic heavy ions in various media

    Science.gov (United States)

    Waddington, C. J.; Fixsen, D. J.; Crawford, H. J.; Lindstrom, P. J.; Heckman, H. H.

    1986-01-01

    The residual ranges of (900 + or - 3)-MeV/amu gold nuclei accelerated at the Lawrence Berkeley Laboratory Bevalac have been measured in several different media. The energy of the beam of nuclei was measured directly using a new time-of-flight system. The ranges were measured by absorption in linear wedges of polyethylene, carbon, aluminum, copper, tin, and lead and in circular wedges of polystyrene, aluminum, and gold, and by total absorption in nuclear emulsion. The measured ranges were significantly different from those calculated from the best available theoretical estimates of the energy loss of highly charged nuclei. It is concluded that at present energy losses and residual ranges of relativistic heavy ions in an arbitrary medium cannot be predicted with better than an approximately 2 percent accuracy.

  10. A relativistic model of electron cyclotron current drive efficiency in tokamak plasmas

    Directory of Open Access Journals (Sweden)

    Lin-Liu Y.R.

    2012-09-01

    Full Text Available A fully relativistic model of electron cyclotron current drive (ECCD efficiency based on the adjoint function techniques is considered. Numerical calculations of the current drive efficiency in a tokamak by using the variational approach are performed. A fully relativistic extension of the variational principle with the modified basis functions for the Spitzer function with momentum conservation in the electron-electron collision is described in general tokamak geometry. The model developed has generalized that of Marushchenko’s (N.B . Marushchenko, et al. Fusion Sci. & Tech., 2009, which is extended for arbitrary temperatures and covers exactly the asymptotic for u ≫ 1 when Z → ∞, and suitable for ray-tracing calculations.

  11. Semileptonic decays of Λ{sub c} baryons in the relativistic quark model

    Energy Technology Data Exchange (ETDEWEB)

    Faustov, R.N.; Galkin, V.O. [Institute of Informatics in Education, FRC CSC RAS, Moscow (Russian Federation)

    2016-11-15

    Motivated by recent experimental progress in studying weak decays of the Λ{sub c} baryon we investigate its semileptonic decays in the framework of the relativistic quark model based on the quasipotential approach with the QCD-motivated potential. The form factors of the Λ{sub c} → Λlν{sub l} and Λ{sub c} → nlν{sub l} decays are calculated in the whole accessible kinematical region without extrapolations and additional model assumptions. Relativistic effects are systematically taken into account including transformations of baryon wave functions from the rest to moving reference frame and contributions of the intermediate negative-energy states. Baryon wave functions found in the previous mass spectrum calculations are used for the numerical evaluation. Comprehensive predictions for decay rates, asymmetries and polarization parameters are given. They agree well with available experimental data. (orig.)

  12. Relativistic parsec-scale jets: II. Synchrotron emission

    Science.gov (United States)

    Pariev, V. I.; Istomin, Ya. N.; Beresnyak, A. R.

    2003-06-01

    We calculate the optically thin synchrotron emission of fast electrons and positrons in a spiral stationary magnetic field and a radial electric field of a rotating relativistic strongly magnetized force-free jet consisting of electron-positron pair plasma. The magnetic field has a helical structure with a uniform axial component and a toroidal component that is maximal inside the jet and decreasing to zero towards the boundary of the jet. Doppler boosting and swing of the polarization angle of synchrotron emission due to the relativistic motion of the emitting volume are calculated. The distribution of the plasma velocity in the jet is consistent with the electromagnetic field structure. Two spatial distributions of fast particles are considered: uniform, and concentrated in the vicinity of the Alfvén resonance surface. The latter distribution corresponds to the regular acceleration by an electromagnetic wave in the vicinity of its Alfvén resonance surface inside the jet. The polarization properties of the radiation have been obtained and compared with the existing VLBI polarization measurements of parsec-scale jets in BL Lac sources and quasars. Our results give a natural explanation of the observed bimodality in the alignment between the electric field vector of the polarized radiation and the projection of the jet axis on the plane of the sky. We interpret the motion of bright knots as a phase velocity of standing spiral eigenmodes of electromagnetic perturbations in a cylindrical jet. The degree of polarization and the velocity of the observed proper motion of bright knots depend upon the angular rotational velocity of the jet. The observed polarizations and velocities of knots indicate that the magnetic field lines are bent in the direction opposite to the direction of the jet rotation.

  13. Relativistic Particle-In-Cell Simulation Studies of Prompt and Early Afterglows from GRBs

    Science.gov (United States)

    Nishikawa, Ken-Ichi; Hardee, Philip; Mizuno, Yosuke; Fishman, Gerald

    2008-01-01

    Nonthermal radiation observed from astrophysical systems containing relativistic jets and shocks, e.g., gamma-ray bursts (GRBs), active galactic nuclei (AGNs), and Galactic microquasar systems usually have power-law emission spectra. Recent PIC simulations of relativistic electron-ion (electro-positron) jets injected into a stationary medium show that particle acceleration occurs within the downstream jet. In the collisionless relativistic shock particle acceleration is due to plasma waves and their associated instabilities {e.g., the Weibel (filamentation) instability) created in the shocks are responsible for particle (electron, positron, and ion) acceleration. The simulation results show that the Weibel instability is responsible for generating and amplifying highly nonuniform, small-scale magnetic fields. These magnetic fields contribute to the electron's transverse deflection behind the jet head. The "jitter" radiation from deflected electrons has different properties than synchrotron radiation which is calculated in a uniform magnetic field. This jitter radiation may be important to understanding the complex time evolution and/or spectral structure in gamma-ray bursts, relativistic jets, and supernova remnants.-/

  14. New Relativistic Particle-In-Cell Simulation Studies of Prompt and Early Afterglows from GRBs

    Science.gov (United States)

    Nishikawa, Ken-ichi; Hardee, P.; Mizuno, Y.; Zhang, B.; Medvedev, M.; Hartmann, D.; Fishman, J. F.; Preece, R.

    2008-01-01

    Nonthermal radiation observed from astrophysical systems containing relativistic jets and shocks, e.g., gamma-ray bursts (GRBs), active galactic nuclei (AGNs), and Galactic microquasar systems usually have power-law emission spectra. Recent PIC simulations of relativistic electron-ion (electro-positron) jets injected into a stationary medium show that particle acceleration occurs within the downstream jet. In the collisionless relativistic shock particle acceleration is due to plasma waves and their associated instabilities (e.g., the Buneman instability, other two-streaming instability, and the Weibel (filamentation) instability) created in the shocks are responsible for particle (electron, positron, and ion) acceleration. The simulation results show that the Weibel instability is responsible for generating and amplifying highly nonuniform, small-scale magnetic fields. These magnetic fields contribute to the electron's transverse deflection behind the jet head. The 'jitter' radiation from deflected electrons has different properties than synchrotron radiation which is calculated in a uniform magnetic field. This jitter radiation may be important to understanding the complex time evolution and/or spectral structure in gamma-ray bursts, relativistic jets, and supernova remnants.

  15. A theory of motion for test particles in relativistic celestial mechanics

    Science.gov (United States)

    Chechin, L. M.

    Zel'manov's (1976) monad formalism is used to develop a theory of motion for test particles in the solar system as they are observed by a terrestrial observer. Relativistic additions are made to Zel'manov's calculations which are connected with transformations to planetary reference system, and to all four classical effects of Einstein's gravitational theory. It is found that a correct description of the real system of reference leads to greater conformity between theoretical conclusions and experimental results.

  16. shape change in Hf, W and Os-isotopes: A non-relativistic Hartree ...

    Indian Academy of Sciences (India)

    Shape change in Hf, W and Os isotopes. 2. Formalisms. 2.1 Non-relativistic Hartree-Fock. Theoretically, the band structure of the Nilsson orbit [ЖТ3A]Ω , is studied with a well-known microscopic model, i.e., deformed Hartree-Fock and angular momentum projection [19,20]. In this calculation, axial symmetry of the ...

  17. A relativistic mean-field study of magic numbers in light nuclei from ...

    Indian Academy of Sciences (India)

    In an axially deformed relativistic mean-field calculation of single-particle energy spectra of = 8 (Li–Mg) and = 14, 16 (C–Mg) isotonic chain and the one- and two-neutron separation energies of various isotopes of Li–Mg, new magic numbers are found to exist at = 6 and = 16 and/or = 14, which are in addition to the ...

  18. Photon-Photon Luminosities in Relativistic Heavy Ion Collisions at LHC Energies

    OpenAIRE

    Hencken, Kai; Trautmann, Dirk; Baur, Gerhard

    1994-01-01

    Effective photon-photon luminosities are calculated for various realistic hadron collider scenarios. The main characteristics of photon-photon processes at relativistic heavy-ion colliders are established and compared to the corresponding photon-photon luminosities at electron-positron and future Photon Linear Colliders (PLC). Higher order corrections as well as inelastic processes are discussed. It is concluded that feasible high luminosity Ca-Ca collisions at the Large Hadron Collider (LHC)...

  19. Photon-Photon Luminosities in Relativistic Heavy Ion Collisions at LHC Energies

    OpenAIRE

    Hencken, Kai; Trautmann, Dirk; Baur, Gerhard

    1995-01-01

    Effective photon-photon luminosities are calculated for various realistic hadron collider scenarios. The main characteristics of photon-photon processes at relativistic heavy-ion colliders are established and compared to the corresponding photon-photon luminosities at electron-positron and future Photon Linear Colliders (PLC). Higher order corrections as well as inelastic processes are discussed. It is concluded that feasible high luminosity Ca-Ca collisions at the Large Hadron Collider (LHC)...

  20. Declination Calculator

    Data.gov (United States)

    National Oceanic and Atmospheric Administration, Department of Commerce — Declination is calculated using the current International Geomagnetic Reference Field (IGRF) model. Declination is calculated using the current World Magnetic Model...

  1. Relativistic and correlation effects on molecular properties .2. The hydrogen halides HF, HCl, HBr, HI, and HAt

    NARCIS (Netherlands)

    Visscher, L; Styszynski, J.; Nieuwpoort, W.C

    1996-01-01

    A benchmark study of a number of four-component relativistic correlation methods is presented. Bond lengths, harmonic frequencies, and dissociation energies of the molecules HF, HCl, HBr, HI, and HAt are calculated at various levels of theory, using both the Schrodinger and the Dirac-Coulomb-(Gaunt)

  2. Fourth-order relativistic corrections to electrical first-order properties using direct perturbation theory.

    Science.gov (United States)

    Stopkowicz, Stella; Gauss, Jürgen

    2011-05-28

    In this work, we present relativistic corrections to first-order electrical properties obtained using fourth-order direct perturbation theory (DPT4) at the Hartree-Fock level. The considered properties, i.e., dipole moments and electrical-field gradients, have been calculated using numerical differentiation techniques based on a recently reported DPT4 code for energies [S. Stopkowicz and J. Gauss, J. Chem. Phys. 134, 064114 (2011)]. For the hydrogen halides HX, X=F, Cl, Br, I, and At, we study the convergence of the scalar-relativistic contributions by comparing the computed DPT corrections to results from spin-free Dirac-Hartree-Fock calculations. Furthermore, since in the DPT series spin-orbit contributions first appear at fourth order, we investigate their magnitude and judge the performance of the DPT4 treatment by means of Dirac-Hartree-Fock benchmark calculations. Finally, motivated by experimental investigations of the molecules CH(2)FBr, CHF(2)Br, and CH(2)FI, we present theoretical results for their halogen quadrupole-coupling tensors and give recommendations concerning the importance of higher-order scalar-relativistic and spin-orbit corrections. © 2011 American Institute of Physics

  3. Relativistic-microwave theory of ball lightning

    Science.gov (United States)

    Wu, H.-C.

    2016-06-01

    Ball lightning, a fireball sometimes observed during lightnings, has remained unexplained. Here we present a comprehensive theory for the phenomenon: At the tip of a lightning stroke reaching the ground, a relativistic electron bunch can be produced, which in turn excites intense microwave radiation. The latter ionizes the local air and the radiation pressure evacuates the resulting plasma, forming a spherical plasma bubble that stably traps the radiation. This mechanism is verified by particle simulations. The many known properties of ball lightning, such as the occurrence site, relation to the lightning channels, appearance in aircraft, its shape, size, sound, spark, spectrum, motion, as well as the resulting injuries and damages, are also explained. Our theory suggests that ball lighting can be created in the laboratory or triggered during thunderstorms. Our results should be useful for lightning protection and aviation safety, as well as stimulate research interest in the relativistic regime of microwave physics.

  4. Relativistic quantum chemistry on quantum computers

    DEFF Research Database (Denmark)

    Veis, L.; Visnak, J.; Fleig, T.

    2012-01-01

    The past few years have witnessed a remarkable interest in the application of quantum computing for solving problems in quantum chemistry more efficiently than classical computers allow. Very recently, proof-of-principle experimental realizations have been reported. However, so far only...... the nonrelativistic regime (i.e., the Schrodinger equation) has been explored, while it is well known that relativistic effects can be very important in chemistry. We present a quantum algorithm for relativistic computations of molecular energies. We show how to efficiently solve the eigenproblem of the Dirac......-Coulomb Hamiltonian on a quantum computer and demonstrate the functionality of the proposed procedure by numerical simulations of computations of the spin-orbit splitting in the SbH molecule. Finally, we propose quantum circuits with three qubits and nine or ten controlled-NOT (CNOT) gates, which implement a proof...

  5. Formation of Hypernuclei in Relativistic Ion Collisions

    Science.gov (United States)

    Botvina, Alexander; Bleicher, Marcus; Pochodzalla, Josef; Steinheimer, Jan

    We develop a versatile model of hypernuclei production in relativistic hadron and ion collisions. Within a hybrid approach we use transport, coalescence and statistical models to describe the whole process. We demonstrate that heavy hypernuclei are coming mostly from projectile and target residues, whereas light hypernuclei can be produced at all rapidities. The yields of hypernuclei increase considerably above the energy threshold for the hyperon production, and there is a tendency to saturation of yields of hypernuclei with increasing the beam energy. There are unique opportunities in relativistic ion collisions which are difficult to realize in traditional hypernuclear experiments: The produced hypernuclei have a broad distribution in masses and isospin, and the production of multi-strange nuclei including new excited states is quite abundant. In addition, we can directly get an information on the hypermatter both at high and low temperatures.

  6. Hyperbolic Triangle Centers The Special Relativistic Approach

    CERN Document Server

    Ungar, A.A

    2010-01-01

    After A. Ungar had introduced vector algebra and Cartesian coordinates into hyperbolic geometry in his earlier books, along with novel applications in Einstein’s special theory of relativity, the purpose of his new book is to introduce hyperbolic barycentric coordinates, another important concept to embed Euclidean geometry into hyperbolic geometry. It will be demonstrated that, in full analogy to classical mechanics where barycentric coordinates are related to the Newtonian mass, barycentric coordinates are related to the Einsteinian relativistic mass in hyperbolic geometry. Contrary to general belief, Einstein’s relativistic mass hence meshes up extraordinarily well with Minkowski’s four-vector formalism of special relativity. In Euclidean geometry, barycentric coordinates can be used to determine various triangle centers. While there are many known Euclidean triangle centers, only few hyperbolic triangle centers are known, and none of the known hyperbolic triangle centers has been determined analytic...

  7. Exact Relativistic Magnetized Haloes around Rotating Disks

    Directory of Open Access Journals (Sweden)

    Antonio C. Gutiérrez-Piñeres

    2015-01-01

    Full Text Available The study of the dynamics of magnetic fields in galaxies is one of important problems in formation and evolution of galaxies. In this paper, we present the exact relativistic treatment of a rotating disk surrounded by a magnetized material halo. The features of the halo and disk are described by the distributional energy-momentum tensor of a general fluid in canonical form. All the relevant quantities and the metric and electromagnetic potentials are exactly determined by an arbitrary harmonic function only. For instance, the generalized Kuzmin-disk potential is used. The particular class of solutions obtained is asymptotically flat and satisfies all the energy conditions. Moreover, the motion of a charged particle on the halo is described. As far as we know, this is the first relativistic model describing analytically the magnetized halo of a rotating disk.

  8. Anomalous magnetohydrodynamics in the extreme relativistic domain

    CERN Document Server

    Giovannini, Massimo

    2016-01-01

    The evolution equations of anomalous magnetohydrodynamics are derived in the extreme relativistic regime and contrasted with the treatment of hydromagnetic nonlinearities pioneered by Lichnerowicz in the absence of anomalous currents. In particular we explore the situation where the conventional vector currents are complemented by the axial-vector currents arising either from the pseudo Nambu-Goldstone bosons of a spontaneously broken symmetry or because of finite fermionic density effects. After expanding the generally covariant equations in inverse powers of the conductivity, the relativistic analog of the magnetic diffusivity equation is derived in the presence of vortical and magnetic currents. While the anomalous contributions are generally suppressed by the diffusivity, they are shown to disappear in the perfectly conducting limit. When the flow is irrotational, boost-invariant and with vanishing four-acceleration the corresponding evolution equations are explicitly integrated so that the various physic...

  9. Hydrodynamics of ultra-relativistic bubble walls

    Directory of Open Access Journals (Sweden)

    Leonardo Leitao

    2016-04-01

    Full Text Available In cosmological first-order phase transitions, gravitational waves are generated by the collisions of bubble walls and by the bulk motions caused in the fluid. A sizeable signal may result from fast-moving walls. In this work we study the hydrodynamics associated to the fastest propagation modes, namely, ultra-relativistic detonations and runaway solutions. We compute the energy injected by the phase transition into the fluid and the energy which accumulates in the bubble walls. We provide analytic approximations and fits as functions of the net force acting on the wall, which can be readily evaluated for specific models. We also study the back-reaction of hydrodynamics on the wall motion, and we discuss the extrapolation of the friction force away from the ultra-relativistic limit. We use these results to estimate the gravitational wave signal from detonations and runaway walls.

  10. Transient effects in a relativistic quantum system

    Energy Technology Data Exchange (ETDEWEB)

    Sadurni, E.; Moshinsky, M. [IFUNAM, Departamento de Fisica Teorica, A.P. 20-364, 01000 Mexico D.F. (Mexico)]. e-mail: sadurni@fisica.unam.mx

    2007-12-15

    The spectral decomposition of propagators is useful in the study of dynamical problems in the Schroedinger picture. However, relativistic problems exhibit complicated spectra containing positive and negative energies. In this work we write an appropriate spectral decomposition for the propagator of the Dirac oscillator. With such propagator we study the dynamical problem of sudden frequency change related to processes in which the isospin projection of the particle is modified. (Author)

  11. Collective dynamics in relativistic nuclear collisions

    Energy Technology Data Exchange (ETDEWEB)

    Niemi, Harri [Department of Physics, University of Jyväskylä, P.O. Box 35, FI-40014 University of Jyväskylä (Finland); Helsinki Institute of Physics, P.O. Box 64, FI-00014 University of Helsinki (Finland)

    2014-11-15

    I will review the current status of describing spacetime evolution of the relativistic nuclear collisions with fluid dynamics, and of determining the transport coefficients of strongly interacting matter. The fluid dynamical models suggest that shear viscosity to entropy density ratio of the matter is small. However, there are still considerable challenges in determining the transport coefficients, and especially their temperature dependence is still poorly constrained.

  12. Relativistic-microwave theory of ball lightning

    OpenAIRE

    H.-C. Wu

    2016-01-01

    Ball lightning, a fireball sometimes observed during lightnings, has remained unexplained. Here we present a comprehensive theory for the phenomenon: At the tip of a lightning stroke reaching the ground, a relativistic electron bunch can be produced, which in turn excites intense microwave radiation. The latter ionizes the local air and the radiation pressure evacuates the resulting plasma, forming a spherical plasma bubble that stably traps the radiation. This mechanism is verified by partic...

  13. Supersymmetric solutions for non-relativistic holography

    Energy Technology Data Exchange (ETDEWEB)

    Donos, Aristomenis [Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany); Gauntlett, Jerome P. [Blackett Laboratory, Imperial College, London (United Kingdom)]|[Institute for Mathematical Sciences, Imperial College, London (United Kingdom)

    2009-01-15

    We construct families of supersymmetric solutions of type IIB and D=11 supergravity that are invariant under the non-relativistic conformal algebra for various values of dynamical exponent z{>=}4 and z{>=}3, respectively. The solutions are based on five- and seven-dimensional Sasaki-Einstein manifolds and generalise the known solutions with dynamical exponent z=4 for the type IIB case and z=3 for the D=11 case, respectively. (orig.)

  14. On relativistic models of strange stars

    Indian Academy of Sciences (India)

    The superdense stars with mass-to-size ratio exceeding 0.3 are expected to be made of strange matter. Assuming that the 3-space of the interior space-time of a strange star is that of a three-paraboloid immersed in a four-dimensional Euclidean space, we obtain a two-parameter family of their physically viable relativistic ...

  15. Relativistic quantum teleportation with superconducting circuits.

    Science.gov (United States)

    Friis, N; Lee, A R; Truong, K; Sabín, C; Solano, E; Johansson, G; Fuentes, I

    2013-03-15

    We study the effects of relativistic motion on quantum teleportation and propose a realizable experiment where our results can be tested. We compute bounds on the optimal fidelity of teleportation when one of the observers undergoes nonuniform motion for a finite time. The upper bound to the optimal fidelity is degraded due to the observer's motion. However, we discuss how this degradation can be corrected. These effects are observable for experimental parameters that are within reach of cutting-edge superconducting technology.

  16. Relativistic Quantum Transport in Graphene Systems

    Science.gov (United States)

    2015-07-09

    way similar to that for conventional two-dimensional semiconductor quantum dot systems. However, the magnetic properties of graphene are quite... semiconductor 2DEG and graphene systems, as shown in Fig. 8. Details of this work can be found in • R. Yang, L. Huang, Y.-C. Lai, C. Grebogi, and L. M...AFRL-OSR-VA-TR-2015-0158 Relativistic Quantum Transport in Graphene Systems Ying Cheng Lai ARIZONA STATE UNIVERSITY Final Report 07/09/2015

  17. Experimental tests of relativistic gravitation theories

    Science.gov (United States)

    Anderson, J. D.

    1971-01-01

    Experimental tests were studied for determining the potential uses of future deep space missions in studies of relativistic gravity. The extensions to the parametrized post-Newtonian framework to take explicit account of the solar system's center of mass relative to the mean rest frame of the Universe is reported. Discoveries reported include the Machian effects of motion relative to the universal rest frame. Summaries of the JPL research are included.

  18. Relativistic Magnetron Priming Experiments and Theory

    Science.gov (United States)

    2010-03-29

    Radiological Scinces dept. University of Michigan Ann Arbor, MI 48109 University of Nevada Reno, Reno NV 10-1 Air Force Office of Scientific Research...versus 30% in the simulation). Due to the idealizations used in the magnetic priming simulations of the UM/L-3 Titan relativistic magnetron, direct ...Laboratory, High Power Microwave Division, Directed Energy Directorate, Kirtland AFB, Albuquerque, NM 87117 USA Abstract Using a hybrid approach, three

  19. On the Relativistic Formulation of Matter

    CERN Document Server

    Vishwakarma, Ram Gopal

    2012-01-01

    A critical analysis of the relativistic formulation of matter reveals some surprising inconsistencies and paradoxes. Corrections are discovered which lead to the long-sought-after equality of the gravitational and inertial masses, which are otherwise different in general relativity. Realizing the potentially great impact of the discovered corrections, an overview of the situation is provided resulting from the newly discovered crisis, amid the evidences defending the theory.

  20. Relativistic dynamics, Green function and pseudodifferential operators

    Energy Technology Data Exchange (ETDEWEB)

    Cirilo-Lombardo, Diego Julio [National Institute of Plasma Physics (INFIP), Consejo Nacional de Investigaciones Cientificas y Tecnicas (CONICET), Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Ciudad Universitaria, Buenos Aires 1428 (Argentina); Bogoliubov Laboratory of Theoretical Physics, Joint Institute for Nuclear Research, 141980 Dubna (Russian Federation)

    2016-06-15

    The central role played by pseudodifferential operators in relativistic dynamics is known very well. In this work, operators like the Schrodinger one (e.g., square root) are treated from the point of view of the non-local pseudodifferential Green functions. Starting from the explicit construction of the Green (semigroup) theoretical kernel, a theorem linking the integrability conditions and their dependence on the spacetime dimensions is given. Relativistic wave equations with arbitrary spin and the causality problem are discussed with the algebraic interpretation of the radical operator and their relation with coherent and squeezed states. Also we perform by means of pure theoretical procedures (based in physical concepts and symmetry) the relativistic position operator which satisfies the conditions of integrability: it is a non-local, Lorentz invariant and does not have the same problems as the “local”position operator proposed by Newton and Wigner. Physical examples, as zitterbewegung and rogue waves, are presented and deeply analyzed in this theoretical framework.

  1. Relativistically strong electromagnetic radiation in a plasma

    Science.gov (United States)

    Bulanov, S. V.; Esirkepov, T. Zh.; Kando, M.; Kiriyama, H.; Kondo, K.

    2016-03-01

    Physical processes in a plasma under the action of relativistically strong electromagnetic waves generated by high-power lasers have been briefly reviewed. These processes are of interest in view of the development of new methods for acceleration of charged particles, creation of sources of bright hard electromagnetic radiation, and investigation of macroscopic quantum-electrodynamical processes. Attention is focused on nonlinear waves in a laser plasma for the creation of compact electron accelerators. The acceleration of plasma bunches by the radiation pressure of light is the most efficient regime of ion acceleration. Coherent hard electromagnetic radiation in the relativistic plasma is generated in the form of higher harmonics and/or electromagnetic pulses, which are compressed and intensified after reflection from relativistic mirrors created by nonlinear waves. In the limit of extremely strong electromagnetic waves, radiation friction, which accompanies the conversion of radiation from the optical range to the gamma range, fundamentally changes the behavior of the plasma. This process is accompanied by the production of electron-positron pairs, which is described within quantum electrodynamics theory.

  2. Substructures in Simulations of Relativistic Jet Formation

    Science.gov (United States)

    Garcia, Raphael de Oliveira; Oliveira, Samuel Rocha de

    2017-04-01

    We present a set of simulations of relativistic jets from accretion disk initial setup with numerical solutions of a system of general-relativistic magnetohydrodynamics (GRMHD) partial differential equations in a fixed black hole (BH) spacetime which is able to show substructures formations inside the jet as well as lobe formation on the jet head. For this, we used a central scheme of finite volume method without dimensional split and with no Riemann solvers namely the Nessyahu-Tadmor method. Thus, we were able to obtain stable numerical solutions with spurious oscillations under control and with no excessive numerical dissipation. Therefore, we developed some setups for initial conditions capable of simulating the formation of relativistic jets from the accretion disk falling onto central black hole until its ejection, both immersed in a magnetosphere. In our simulations, we were able to observe some substructure of a jet created from an accretion initial disk, namely, jet head, knots, cocoon, and lobe. Also, we present an explanation for cocoon formation and lobe formation. Each initial scenario was determined by ratio between disk density and magnetosphere density, showing that this relation is very important for the shape of the jet and its substructures.

  3. Ejection of stars with relativistic velocities

    Science.gov (United States)

    Dryomova, G.; Dryomov, V.; Tutukov, A.

    We present the results of numerical simulations performed in terms of modified Hills' scenario involving two supermassive black holes (SMBHs). In contrast to the classic Hills scenario (Hills 1988), here one component of the ordinary stellar binary system is replaced with a SMBH that provides a kinetic resource for ejecting a star (the secondary component of the binary) with relativistic velocity (RVS). We examine the conditions that favor relativistic ejections of stars, depending on the pericentric approach, the mass ratio of two SMBHs, and the orbital configuration of the binary system. Applying the simple criteria helped us to sort out the results of numerical simulations by the outcome: conservation of the orbital configuration of the binary system, dynamic recapture of the star by the central SMBH, emission of hypervelocity stars (HVSs), and RVS ejection. In the framework of N-body simulations we estimate the probability for a star to survive in the cross-field of two SMBHs during the ejection with relativistic velocity, and discuss the probability of the detection of RVSs in our Galaxy in the cases where such stars are generated in distant interacting galaxies undergoing a merger of their central parts occupied by SMBHs.

  4. Interaction of the electromagnetic precursor from a relativistic shock with the upstream flow - I. Synchrotron absorption of strong electromagnetic waves

    Science.gov (United States)

    Lyubarsky, Yuri

    2018-02-01

    This paper is the first in the series of papers aiming to study interaction of the electromagnetic precursor waves generated at the front of a relativistic shock with the upstream flow. It is motivated by a simple consideration showing that the absorption of such an electromagnetic precursor could yield an efficient transformation of the kinetic energy of the upstream flow to the energy of accelerated particles. Taking into account that the precursor is a strong wave, in which electrons oscillate with relativistic velocities, the standard plasma-radiation interaction processes should be reconsidered. In this paper, I calculate the synchrotron absorption of strong electromagnetic waves.

  5. Non-relativistic quantum mechanics

    CERN Document Server

    Puri, Ravinder R

    2017-01-01

    This book develops and simplifies the concept of quantum mechanics based on the postulates of quantum mechanics. The text discusses the technique of disentangling the exponential of a sum of operators, closed under the operation of commutation, as the product of exponentials to simplify calculations of harmonic oscillator and angular momentum. Based on its singularity structure, the Schrödinger equation for various continuous potentials is solved in terms of the hypergeometric or the confluent hypergeometric functions. The forms of the potentials for which the one-dimensional Schrödinger equation is exactly solvable are derived in detail. The problem of identifying the states of two-level systems which have no classical analogy is addressed by going beyond Bell-like inequalities and separability. The measures of quantumness of mutual information in two two-level systems is also covered in detail. Offers a new approach to learning quantum mechanics based on the history of quantum mechanics and its postu...

  6. Formulation of the relativistic quantum Hall effect and parity anomaly

    Science.gov (United States)

    Yonaga, Kouki; Hasebe, Kazuki; Shibata, Naokazu

    2016-06-01

    We present a relativistic formulation of the quantum Hall effect on Haldane sphere. An explicit form of the pseudopotential is derived for the relativistic quantum Hall effect with/without mass term. We clarify particular features of the relativistic quantum Hall states with the use of the exact diagonalization study of the pseudopotential Hamiltonian. Physical effects of the mass term to the relativistic quantum Hall states are investigated in detail. The mass term acts as an interpolating parameter between the relativistic and nonrelativistic quantum Hall effects. It is pointed out that the mass term unevenly affects the many-body physics of the positive and negative Landau levels as a manifestation of the "parity anomaly." In particular, we explicitly demonstrate the instability of the Laughlin state of the positive first relativistic Landau level with the reduction of the charge gap.

  7. A fast numerical integrator for relativistic charged particle tracking

    Science.gov (United States)

    Qiang, Ji

    2017-09-01

    In this paper, we report on a fast second-order numerical integrator to solve the Lorentz force equations of a relativistic charged particle in electromagnetic fields. This numerical integrator shows less numerical error than the popular Boris algorithm in tracking the relativistic particle subject to electric and magnetic space-charge fields and requires less number of operations than another recently proposed relativistic integrator.

  8. Relativistic quantum mechanics and introduction to field theory

    Energy Technology Data Exchange (ETDEWEB)

    Yndurain, F.J. [Universidad Autonoma de Madrid (Spain). Dept. de Fisica Teorica

    1996-12-01

    The following topics were dealt with: relativistic transformations, the Lorentz group, Klein-Gordon equation, spinless particles, spin 1/2 particles, Dirac particle in a potential, massive spin 1 particles, massless spin 1 particles, relativistic collisions, S matrix, cross sections, decay rates, partial wave analysis, electromagnetic field quantization, interaction of radiation with matter, interactions in quantum field theory and relativistic interactions with classical sources.

  9. Simulations of Relativistic Effects, Relativistic Time, and the Constancy of Light Velocity

    Science.gov (United States)

    Matveev, Vadim N.; Matvejev, Oleg V.

    2013-09-01

    Based on pre-Einstein classical mechanics, a theoretical model is constructed that describes the behavior of objects in a liquid environment that conduct themselves in accordance with the formal laws of the special theory of relativity. This model reproduces Lorentz contraction, time dilation, the relativity of simultaneity, the Doppler effect in its symmetrical relativistic form, the twin paradox effects, Bell effect, the relativistic addition of velocities. The model makes it possible to obtain Lorentz transforms and to simulate Minkowski four-dimensional space-time.

  10. Optical model calculations of heavy-ion target fragmentation

    Science.gov (United States)

    Townsend, L. W.; Wilson, J. W.; Cucinotta, F. A.; Norbury, J. W.

    1986-01-01

    The fragmentation of target nuclei by relativistic protons and heavy ions is described within the context of a simple abrasion-ablation-final-state interaction model. Abrasion is described by a quantum mechanical formalism utilizing an optical model potential approximation. Nuclear charge distributions of the excited prefragments are calculated by both a hypergeometric distribution and a method based upon the zero-point oscillations of the giant dipole resonance. Excitation energies are estimated from the excess surface energy resulting from the abrasion process and the additional energy deposited by frictional spectator interactions of the abraded nucleons. The ablation probabilities are obtained from the EVA-3 computer program. Isotope production cross sections for the spallation of copper targets by relativistic protons and for the fragmenting of carbon targets by relativistic carbon, neon, and iron projectiles are calculated and compared with available experimental data.

  11. Particle-in-cell simulation for parametric decays of a circularly polarized Alfvén wave in relativistic thermal electron-positron plasma

    Energy Technology Data Exchange (ETDEWEB)

    López, Rodrigo A., E-mail: rlopez186@gmail.com; Muñoz, Víctor [Departamento de Física, Facultad de Ciencias, Universidad de Chile, Casilla 653, Santiago (Chile); Viñas, Adolfo F. [NASA Goddard Space Flight Center, Heliophysics Science Division, Geospace Physics Laboratory, Mail Code 673, Greenbelt, Maryland 20771 (United States); Alejandro Valdivia, J. [Departamento de Física, Facultad de Ciencias, Universidad de Chile, Casilla 653, Santiago (Chile); Centro para el Desarrollo de la Nanociencia y la Nanotecnología, CEDENNA, Santiago (Chile)

    2014-03-15

    Parametric decays of a left-handed circularly polarized Alfvén wave propagating along a constant background magnetic field in a relativistic thermal electron-positron plasma are studied by means of a one dimensional relativistic particle-in-cell simulation. Relativistic effects are included in the Lorentz equation for the momentum of the particles and in their thermal motion, by considering a Maxwell-Jüttner velocity distribution function for the initial condition. In the linear stage of the simulation, we find many instabilities that match the predictions of relativistic fluid theory. In general, the growth rates of the instabilities increase as the pump wave amplitude is increased, and decrease with a raise in the plasma temperatures. We have confirmed that for very high temperatures the Alfvén branch is suppressed, consistent with analytical calculations.

  12. Theoretical study of the relativistic molecular rotational g-tensor

    Energy Technology Data Exchange (ETDEWEB)

    Aucar, I. Agustín, E-mail: agustin.aucar@conicet.gov.ar; Gomez, Sergio S., E-mail: ssgomez@exa.unne.edu.ar [Institute for Modeling and Technological Innovation, IMIT (CONICET-UNNE) and Faculty of Exact and Natural Sciences, Northeastern University of Argentina, Avenida Libertad 5400, W3404AAS Corrientes (Argentina); Giribet, Claudia G.; Ruiz de Azúa, Martín C. [Physics Department, Faculty of Exact and Natural Sciences, University of Buenos Aires and IFIBA CONICET, Ciudad Universitaria, Pab. I, 1428 Buenos Aires (Argentina)

    2014-11-21

    An original formulation of the relativistic molecular rotational g-tensor valid for heavy atom containing compounds is presented. In such formulation, the relevant terms of a molecular Hamiltonian for non-relativistic nuclei and relativistic electrons in the laboratory system are considered. Terms linear and bilinear in the nuclear rotation angular momentum and an external uniform magnetic field are considered within first and second order (relativistic) perturbation theory to obtain the rotational g-tensor. Relativistic effects are further analyzed by carrying out the linear response within the elimination of the small component expansion. Quantitative results for model systems HX (X=F, Cl, Br, I), XF (X=Cl, Br, I), and YH{sup +} (Y=Ne, Ar, Kr, Xe, Rn) are obtained both at the RPA and density functional theory levels of approximation. Relativistic effects are shown to be small for this molecular property. The relation between the rotational g-tensor and susceptibility tensor which is valid in the non-relativistic theory does not hold within the relativistic framework, and differences between both molecular parameters are analyzed for the model systems under study. It is found that the non-relativistic relation remains valid within 2% even for the heavy HI, IF, and XeH{sup +} systems. Only for the sixth-row Rn atom a significant deviation of this relation is found.

  13. Semiclassical approach to the description of semi-infinite nuclear matter in relativistic mean-field theory

    Energy Technology Data Exchange (ETDEWEB)

    Centelles, M. (Dept. d' Estructura i Constituents de la Materia, Barcelona Univ. (Spain)); Vinas, X. (Dept. d' Estructura i Constituents de la Materia, Barcelona Univ. (Spain))

    1993-10-18

    The surface and curvature energies as well as the surface thickness of semi-infinite nuclear matter are studied in the framework of the relativistic mean-field theory. The calculations are performed for linear and non-linear [sigma][omega] models, using a relativistic extended Thomas-Fermi method which includes gradient corrections to order h[sup 2]. The connections between the structure of the nuclear surface and the properties of uniform nuclear matter and the meson degrees of freedom are underlined. For reasonable saturation properties, it is shown that realistic values of the surface energy and the surface thickness can be simultaneously obtained in non-linear [sigma][omega] models. In this case the calculated curvature energy turns out to be considerably larger than the empirical estimates. We conclude that the relativistic effects in the mean-field approach cannot solve the so-called nuclear curvature energy puzzle. Comparisons with non-relativistic semiclassical calculations for Skyrme interactions are also made. (orig.)

  14. R-matrix calculation of electron collisions with the BF{sup +} molecular ion

    Energy Technology Data Exchange (ETDEWEB)

    Chakrabarti, K [Department of Mathematics, Scottish Church College, 1 and 3 Urquhart Sq, Kolkata 700006 (India); Tennyson, Jonathan [Department of Physics and Astronomy, University College London, Gower St, London WC1E 6BT (United Kingdom)

    2009-05-28

    Electron collisions with the BF{sup +} molecular ion are studied using the framework of the diatomic version of the UK molecular R-matrix codes. A configuration-interaction calculation is performed for BF{sup +} to obtain potential energy curves and target properties for 14 lowest doublet and quartet states. Scattering calculations are performed which yield resonance parameters and excitation cross sections in the energy range 0-20 eV. Cross sections for rotational excitations and an approximate calculation for the electron impact dissociation cross section for BF{sup +} are also presented.

  15. Spin resonance strength calculation through single particle tracking for RHIC

    Energy Technology Data Exchange (ETDEWEB)

    Luo, Y. [Brookhaven National Lab. (BNL), Upton, NY (United States); Dutheil, Y. [Brookhaven National Lab. (BNL), Upton, NY (United States); Huang, H. [Brookhaven National Lab. (BNL), Upton, NY (United States); Meot, F. [Brookhaven National Lab. (BNL), Upton, NY (United States); Ranjbar, V. [Brookhaven National Lab. (BNL), Upton, NY (United States)

    2015-05-03

    The strengths of spin resonances for the polarized-proton operation in the Relativistic Heavy Ion Collider are currently calculated with the code DEPOL, which numerically integrates through the ring based on an analytical approximate formula. In this article, we test a new way to calculate the spin resonance strengths by performing Fourier transformation to the actual transverse magnetic fields seen by a single particle traveling through the ring. Comparison of calculated spin resonance strengths is made between this method and DEPOL.

  16. A Relativistic Coupled-Channel Formalism for the Pion Form Factor

    Directory of Open Access Journals (Sweden)

    Klink W.H.

    2010-04-01

    Full Text Available The electromagnetic form factor of a confined quark-antiquark pair is calculated within the framework of point-form relativistic quantum mechanics. The dynamics of the exchanged photon is explicitly taken into account by treating the electromagnetic scattering of an electron by a meson as a relativistic two-channel problem for a Bakamjian-Thomas type mass operator. This approach guarantees Poincare invariance. Using a Feshbach reduction the coupled-channel problem can be converted into a one-channel problem for the elastic electron-meson channel. By comparing the one-photon-exchange optical potential at the constituent and hadronic levels, we are able to unambiguously identify the electromagnetic meson form factor. Violations of cluster-separability properties, which are inherent in the Bakamjian-Thomas approach, become negligible for su?ciently large invariant mass of the electron-meson system. In the limit of an in?nitely large invariant mass, an equivalence with form-factor calculations done in front-form relativistic quantum mechanics is established analytically.

  17. R-mode frequencies of rapidly and differentially rotating relativistic neutron stars

    CERN Document Server

    Jasiulek, Michael

    2016-01-01

    R-modes of neutron stars could be a source of gravitational waves for ground based detectors. If the precise frequency $\\sigma$ is known, guided gravitational wave searches with enhanced detectability are possible. Because of its physical importance many authors have calculated the r-mode frequency. For the dominant mode, the associated gravitational wave frequency is 4/3 times the angular velocity of the star $\\Omega$, subject to various corrections of which relativistic and rotational corrections are the most important. This has led several authors to investigate the dependence of the r-mode frequency on factors such as the relativistic compactness parameter ($M/R$) and the angular velocity of stars with different equations of state. The results found so far, however, are almost independent of the equation of state. Here we investigate the effect of rapid rotation and differential rotation on $\\sigma$. We evolve the perturbation equations using the Cowling approximation by applying finite differencing metho...

  18. Energy and centrality dependences of charged multiplicity density in relativistic nuclear collisions

    CERN Document Server

    Sá Ben-Hao; Tai, A; Zhou Dai Mei; Sa, Ben-Hao; Tai, An; Zhou, Dai-Mei

    2001-01-01

    Using a hadron and string cascade model, JPCIAE, the energy and centrality dependences of charged particle pseudorapidity density in relativistic nuclear collisions were studied. Within the framework of this model, both the relativistic $p+\\bar p$ experimental data and the PHOBOS and PHENIX $Au+Au$ data at $\\sqrt s_{nn}$=130 GeV could be reproduced fairly well without retuning the model parameters. The predictions for full RHIC energy $Au+Au$ collisions and for $Pb+Pb$ collisions at the ALICE energy were given. Participant nucleon distributions were calculated based on different methods. It was found that the number of participant nucleons, $$, is not a well defined variable both experimentally and theoretically. Therefore, it is inappropriate to use charged particle pseudorapidity density per participant pair as a function of $$ for distinguishing various theoretical models.

  19. One-proton halo in sup 3 sup 1 Cl with relativistic mean-field theory

    CERN Document Server

    Cai Xiang Zhou; Jiang Wei; Fang De Qing; Zhang Hu Yong; Zhong Chen; Wei Yi Bin; Guo Wei; Ma Yu Gang; Zhu Zhi Yuan; Ren Zhong Zhou

    2002-01-01

    The authors investigate proton-rich isotopes sup 3 sup 1 sup , sup 3 sup 2 Cl using the nonlinear relativistic mean-field model. It is shown that this model can reproduce the properties of these nuclei well. A long tail appears in the calculated proton density distribution of sup 3 sup 1 Cl. The results of relativistic density-dependent Hartree theory show a similar trend of tail density distribution. It is strongly suggested that there is a proton halo in sup 3 sup 1 Cl and it is indicated that there may be a proton skin in sup 3 sup 2 Cl. The relation between the proton halo in sup 3 sup 1 Cl and the new proton magic number is discussed

  20. A new relativistic hydrodynamics code for high-energy heavy-ion collisions

    Energy Technology Data Exchange (ETDEWEB)

    Okamoto, Kazuhisa [Nagoya University, Department of Physics, Nagoya (Japan); Akamatsu, Yukinao [Nagoya University, Kobayashi-Maskawa Institute for the Origin of Particles and the Universe (KMI), Nagoya (Japan); Osaka University, Department of Physics, Toyonaka (Japan); Stony Brook University, Department of Physics and Astronomy, Stony Brook, NY (United States); Nonaka, Chiho [Nagoya University, Department of Physics, Nagoya (Japan); Nagoya University, Kobayashi-Maskawa Institute for the Origin of Particles and the Universe (KMI), Nagoya (Japan); Duke University, Department of Physics, Durham, NC (United States)

    2016-10-15

    We construct a new Godunov type relativistic hydrodynamics code in Milne coordinates, using a Riemann solver based on the two-shock approximation which is stable under the existence of large shock waves. We check the correctness of the numerical algorithm by comparing numerical calculations and analytical solutions in various problems, such as shock tubes, expansion of matter into the vacuum, the Landau-Khalatnikov solution, and propagation of fluctuations around Bjorken flow and Gubser flow. We investigate the energy and momentum conservation property of our code in a test problem of longitudinal hydrodynamic expansion with an initial condition for high-energy heavy-ion collisions. We also discuss numerical viscosity in the test problems of expansion of matter into the vacuum and conservation properties. Furthermore, we discuss how the numerical stability is affected by the source terms of relativistic numerical hydrodynamics in Milne coordinates. (orig.)

  1. Newtonian versus special-relativistic statistical predictions for low-speed scattering.

    Directory of Open Access Journals (Sweden)

    Shiuan-Ni Liang

    Full Text Available The statistical predictions of Newtonian and special-relativistic mechanics, which are calculated from an initially Gaussian ensemble of trajectories, are compared for a low-speed scattering system. The comparisons are focused on the mean dwell time, transmission and reflection coefficients, and the position and momentum means and standard deviations. We find that the statistical predictions of the two theories do not always agree as conventionally expected. The predictions are close if the scattering is non-chaotic but they are radically different if the scattering is chaotic and the initial ensemble is well localized in phase space. Our result indicates that for low-speed chaotic scattering, special-relativistic mechanics must be used, instead of the standard practice of using Newtonian mechanics, to obtain empirically-correct statistical predictions from an initially well-localized Gaussian ensemble.

  2. Entropy of Relativistic Mono-Atomic Gas and Temperature Relativistic Transformation in Thermodynamics

    Directory of Open Access Journals (Sweden)

    Edward Bormashenko

    2007-09-01

    Full Text Available It is demonstrated that the entropy of the ideal mono-atomic gas comprisingidentical spherical atoms is not conserved under the Planck-Einstein like relativistictemperature transformation, as a result of the change in the number of atomic degrees offreedom. This fact supports the idea that there is no universal relativistic temperaturetransformation.

  3. Relativistic hydrodynamic jets in the intracluster medium

    Science.gov (United States)

    Choi, Eunwoo

    2017-08-01

    We have performed the first three-dimensional relativistic hydrodynamic simulations of extragalactic jets of pure leptonic and baryonic plasma compositions propagating into a hydrostatic intracluster medium (ICM) environment. The numerical simulations use a general equation of state for a multicomponent relativistic gas, which closely reproduces the Synge equation of state for a relativistic perfect gas. We find that morphological and dynamical differences between leptonic and baryonic jets are much less evident than those between hot and cold jets. In all these models, the jets first propagate with essentially constant velocities within the core radius of the ICM and then accelerate progressively so as to increase the jet advance velocity by a factor of between 1.2 and 1.6 at the end of simulations, depending upon the models. The temporal evolution of the average cavity pressure is not consistent with that expected by the extended theoretical model even if the average cavity pressure decreases as a function of time with a power law. Our simulations produce synthetic radio images that are dominated by bright hot spots and appear similar to observations of the extended radio galaxies with collimated radio jets. These bright radio lobes would be visible as dark regions in X-ray images and are morphologically similar to observed X-ray cavities in the ICM. This supports the expectation that the bow shock surrounding the head of the jet is important mechanism for producing X-ray cavities in the ICM. Although there are quantitative differences among the models, the total radio and X-ray intensity curves show qualitatively similar trends in all of them.

  4. MEMS Calculator

    Science.gov (United States)

    SRD 166 MEMS Calculator (Web, free access)   This MEMS Calculator determines the following thin film properties from data taken with an optical interferometer or comparable instrument: a) residual strain from fixed-fixed beams, b) strain gradient from cantilevers, c) step heights or thicknesses from step-height test structures, and d) in-plane lengths or deflections. Then, residual stress and stress gradient calculations can be made after an optical vibrometer or comparable instrument is used to obtain Young's modulus from resonating cantilevers or fixed-fixed beams. In addition, wafer bond strength is determined from micro-chevron test structures using a material test machine.

  5. Introduction to the relativistic string theory

    CERN Document Server

    Barbashov, B M

    1990-01-01

    This book presents a systematic and detailed account of the classical and quantum theory of the relativistic string and some of its modifications. Main attention is paid to the first-quantized string theory with possible applications to the string models of hadrons as well as to the superstring approach to unifications of all the fundamental interactions in the elementary particle physics and to the "cosmic" strings. Some new aspects are provided such as the consideration of the string in an external electromagnetic field and in the space-time of constant curvature (the de Sitter universe), th

  6. Relativistic field theory and chaotic dynamics

    Energy Technology Data Exchange (ETDEWEB)

    Tanaka, Yosuke

    2005-01-01

    We have studied the relativistic equations and chaotic motions of gravitational field on the basis of the theory of relativity and chaos. Friedmann equation (the space component) shows the chaotic behaviours in case of the inflation universe (G/G>0) and shows the non-chaotic behaviours in case of the flat and contraction universe (G/G {<=} 0). With the use of Kerr metric, we have discussed the non-diagonal tensor effect on gravitational field and chaotic dynamics. We have also discussed the dimension of the universe on the basis of E infinity theory.

  7. Foil focusing of relativistic electron beams

    Energy Technology Data Exchange (ETDEWEB)

    Ekdahl, Jr., Carl August [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2017-10-26

    When an intense relativistic electron beams (IREB) passes through a grounded metal foil, the transverse electric field due to the beam space charge is locally shorted out, and the beam is focused by the magnetic field of its current. The effect can be treated as focusing by a thin lens with first order aberration. Expressions for the focal length and aberration coefficient of the equivalent thin lens are developed in this note. These are then applied to practical examples representative of IREB research at Los Alamos National Laboratory.

  8. Kelvin-Helmholtz instability for relativistic fluids

    Science.gov (United States)

    Bodo, G.; Mignone, A.; Rosner, R.

    2004-09-01

    We reexamine the stability of an interface separating two nonmagnetized relativistic fluids in relative motion, showing that, in an appropriate reference frame, it is possible to find analytic solutions to the dispersion relation. Moreover, we show that the critical value of the Mach number, introduced by compressibility, is unchanged from the nonrelativistic case if we redefine the Mach number as M=[β/(1-β2)1/2][βs/(1-βs2)1/2]-1 , where β and βs are, respectively, the speed of the fluid and the speed of sound (in units of the speed of light).

  9. A Relativistic Symmetrical Interpretation of Quantum Mechanics

    Science.gov (United States)

    Heaney, Michael B.

    This poster describes a relativistic symmetrical interpretation (RSI) which postulates: quantum mechanics is intrinsically time-symmetric, with no arrow of time; the fundamental objects of quantum mechanics are transitions; a transition is fully described by a complex transition amplitude density with specified initial and final boundary conditions, and; transition amplitude densities never collapse. This RSI is compared to the Copenhagen Interpretation (CI) for the analysis of Einstein's bubble experiment using both the Dirac and Klein-Gordon equations. The RSI has no zitterbewegung in the particle's rest frame, resolves some inconsistencies of the CI, and gives intuitive explanations of some previously mysterious quantum effects.

  10. Bremsstrahlung from relativistic heavy ions in matter

    DEFF Research Database (Denmark)

    Sørensen, Allan Hvidkjær

    2010-01-01

    The emission of electromagnetic radiation by relativistic bare heavy ions penetrating ordinary matter is investigated. Our main aim is to determine the bremsstrahlung which we define as the radiation emitted when the projectile does not break up. It pertains to collisions without nuclear contact....... As a result of its relative softness, bremsstrahlung never dominates the energy-loss process for heavy ions. As to the emission of electromagnetic radiation in collisions with nuclear break-up, it appears modest when pertaining to incoherent action of the projectile nucleons in noncontact collisions...

  11. The 'twin paradox' in relativistic rigid motion

    OpenAIRE

    Ben-Ya'acov, Uri

    2017-01-01

    Relativistic rigid motion suggests a new version for the so-called `twin paradox', comparing the ages of two astronauts on a very long spaceship. Although there is always an instantaneous inertial frame in which the whole spaceship, being rigid, is simultaneously at rest, the twins' ages, measured as the proper-times along their individual world lines, are different when they are located at remote parts of the spaceship. The age, or proper-time, difference depends on the distance at rest betw...

  12. Dynamical friction in a relativistic plasma.

    Science.gov (United States)

    Pike, O J; Rose, S J

    2014-05-01

    The work of Spitzer on dynamical friction in a plasma [L. Spitzer, Jr., Physics of Fully Ionized Gases, 2nd ed. (Wiley, New York, 1962), Chap. 5] is extended to relativistic systems. We derive the force of dynamical friction, diffusion tensor, and test particle relaxation rates for a Maxwellian background in the same form as Trubnikov [B. A. Trubnikov, in Reviews of Plasma Physics, edited by M. A. Leontovich (Consultants Bureau, New York, 1965), Vol. 1, p. 105], enabling high-temperature laboratory and astrophysical plasmas to be modeled in a consistent manner.

  13. Recent Developments in the Code RITRACKS (Relativistic Ion Tracks)

    Science.gov (United States)

    Plante, Ianik; Ponomarev, Artem L.; Blattnig, Steve R.

    2018-01-01

    The code RITRACKS (Relativistic Ion Tracks) was developed to simulate detailed stochastic radiation track structures of ions of different types and energies. Many new capabilities were added to the code during the recent years. Several options were added to specify the times at which the tracks appear in the irradiated volume, allowing the simulation of dose-rate effects. The code has been used to simulate energy deposition in several targets: spherical, ellipsoidal and cylindrical. More recently, density changes as well as a spherical shell were implemented for spherical targets, in order to simulate energy deposition in walled tissue equivalent proportional counters. RITRACKS is used as a part of the new program BDSTracks (Biological Damage by Stochastic Tracks) to simulate several types of chromosome aberrations in various irradiation conditions. The simulation of damage to various DNA structures (linear and chromatin fiber) by direct and indirect effects has been improved and is ongoing. Many improvements were also made to the graphic user interface (GUI), including the addition of several labels allowing changes of units. A new GUI has been added to display the electron ejection vectors. The parallel calculation capabilities, notably the pre- and post-simulation processing on Windows and Linux machines have been reviewed to make them more portable between different systems. The calculation part is currently maintained in an Atlassian Stash® repository for code tracking and possibly future collaboration.

  14. Approaches to relativistic positioning around Earth and error estimations

    CERN Document Server

    Puchades, Neus

    2016-01-01

    In the context of relativistic positioning, the coordinates of a given user may be calculated by using suitable information broadcast by a 4-tuple of satellites. Our 4-tuples belong to the Galileo constellation. Recently, we estimated the positioning errors due to uncertainties in the satellite world lines (U-errors). A distribution of U-errors was obtained, at various times, in a set of points covering a large region surrounding Earth. Here, the positioning errors associated to the simplifying assumption that photons move in Minkowski space-time (S-errors) are estimated and compared with the U-errors. Both errors have been calculated for the same points and times to make comparisons possible. For a certain realistic modeling of the world line uncertainties, the estimated S-errors have proved to be smaller than the U-errors, which shows that the approach based on the assumption that the Earth's gravitational field produces negligible effects on photons may be used in a large region surrounding Earth. The appl...

  15. Parallel, grid-adaptive approaches for relativistic hydro and magnetohydrodynamics

    NARCIS (Netherlands)

    Keppens, R.; Meliani, Z.; van Marle, A. J.; Delmont, P.; Vlasis, A.; van der Holst, B.

    2012-01-01

    Relativistic hydro and magnetohydrodynamics provide continuum fluid descriptions for gas and plasma dynamics throughout the visible universe. We present an overview of state-of-the-art modeling in special relativistic regimes, targeting strong shock-dominated flows with speeds approaching the speed

  16. Semi-classical limit of relativistic quantum mechanics

    Indian Academy of Sciences (India)

    problems at condition (7) is not directly proportional to the inverse of the particle velocity. 6. Non-relativistic limit. For velocities smaller than the velocity of light, eqs (17) and (19) should reduce to the corresponding formulae of non-relativistic mechanics. Classical equivalents of eqs (17) and (19) are equations. ρSchr = R2.

  17. Symmetries and couplings of non-relativistic electrodynamics

    NARCIS (Netherlands)

    Festuccia, G.; Hansen, D.; Hartong, J.; Obers, N.A.

    We examine three versions of non-relativistic electrodynamics, known as the electric and magnetic limit theories of Maxwell’s equations and Galilean electrodynamics (GED) which is the off-shell non-relativistic limit of Maxwell plus a free scalar field. For each of these three cases we study the

  18. On the relativistic extended Thomas-Fermi method

    Energy Technology Data Exchange (ETDEWEB)

    Centelles, M.; Vinas, X.; Barranco, M. (Barcelona Univ. (Spain). Dept. de Estructura y Constituyentes de la Materia); Schuck, P. (Grenoble-1 Univ., 38 (France). Inst. des Sciences Nucleaires)

    1990-12-03

    We have derived the semiclassical relativistic energy functional for a set of fermions moving in the mean field arising from scalar and vector fields, including up to {Dirac h}{sup 2} corrective terms. The method is applied to a relativistic harmonic oscillator model for which the semiclassical result can be compared with the exact solution of the Dirac equation. (orig.).

  19. Gamma-ray spectroscopy with relativistic exotic heavy-ions

    Indian Academy of Sciences (India)

    Vol. 57, No. 1. — journal of. July 2001 physics pp. 161–164. Gamma-ray spectroscopy with relativistic exotic heavy-ions. SAMIT MANDAL, J GERL, H GEISSEL, K HAUSCHILD. ¿. , M HELLSTR ¨OM, ... large [2,3] to perform a meaningful high spin decay spectroscopy of exotic nuclei. At the same time relativistic Coulomb ...

  20. Standard relativistic reference systems and the IAU framework

    Science.gov (United States)

    Soffel, Michael

    2010-01-01

    The IAU framework for relativistic reference systems is based upon the work by Brumberg and Kopeikin and by Damour, Soffel and Xu (DSX). We begin with a brief introduction into the DSX-formalism. After that the various IAU Resolutions concerning relativistic astronomical reference systems are discussed. Finally, it is indicated how the expansion of the universe can be considered in the BCRS.

  1. Analytical algorithms of relativistic reduction of astronomical observations.

    Science.gov (United States)

    Brumberg, V. A.; Bretagnon, P.; Francou, G.

    Using the analytical planetary theories VSOP87 (Bretagnon and Francou, 1988) and the relativistic theory of astronomical reference systems of Brumberg and Kopejkin (1989) the authors have derived the analytical expressions of the relativistic quantities enabling one to set the relationships between (1) TCB and TCG, (2) barycentric spatial coordinates and geocentric spatial coordinates and (3) observer's proper time and TCG.

  2. Relativistic effects on the modulational instability of electron plasma ...

    Indian Academy of Sciences (India)

    netosphere [2], Van Allen radiation belts [3] and laser–plasma interaction experiments. [4]. The relativistic motion in plasmas is assumed to exist during the early evolution of the Universe [5]. Studies on relativistic effects on ion-acoustic solitary waves are many. Das and Paul [6] first investigated the ion-acoustic solitary ...

  3. Development of a 2 MW relativistic backward wave oscillator

    Indian Academy of Sciences (India)

    In this paper, a high power relativistic backward wave oscillator (BWO) experiment is reported. A 230 keV, 2 kA, 150 ns relativistic electron beam is generated using a Marx generator. The beam is then injected into a hollow rippled wall metallic cylindrical tube that forms a slow wave structure. The beam is guided using an ...

  4. Energy Dependence of Near-relativistic Electron Spectrum at ...

    Indian Academy of Sciences (India)

    This may give us some insight into how we can safeguard geostationary satellites from functional anomalies of the deep dielectric charging type, which are caused by charge accumulation and subsequent discharge of relativistic electrons. In this study we examine whether there is any energy dependence in relativistic ...

  5. Generation of whistler mode in a relativistic plasma

    Indian Academy of Sciences (India)

    In view of the above facts, we study the generation of whistler wave in the presence of ion acoustic turbulence in a relativistic plasma through the process of plasma maser effect in plasma. In this effect we have considered the relativistic interaction of plasma particle with two kinds of waves: one is resonant low frequency.

  6. Weibel instability in relativistic electron positron plasma

    Science.gov (United States)

    Ehsan, Zahida; Tsintsadze, Nodar; Yoon, Peter

    2017-10-01

    We consider a situation in when the interaction of relativistically intense EM waves with an isotropic electron positron? plasma takes place, i.e., we consider short pulse lasers with intensity up to 1021 W/cm2, in which the photon density is of the order of 1030cm-3 and the strength of electric field E = 109 statvolt/cm. Such a situation is possible in astrophysical and laboratory plasmas which are subject to intense laser radiation, thus leading to nonthermal equilibrium field radiations. Such interaction of the superstrong laser radiation with an isotropic pair plasma leads to the generation of low frequency electromagnetic EM waves and in particular a quasistationary magnetic field. When the relativistic circularly polarized transverse EM wave propagates along z-axis, it creates a ponderomotive force, which affects the motion of particles along the direction of its propagation. On the other hand, motion of the particles across the direction of propagation is defined by the ponderomotive potential. Moreover dispersion relation for the transverse EM wave using a special distribution function, which has an anisotropic form, is derived and is subsequently investigated for a number of special cases. In general, it is shown that the growth rate of the EM wave strongly depends upon its intensity.

  7. CAFE: A New Relativistic MHD Code

    Science.gov (United States)

    Lora-Clavijo, F. D.; Cruz-Osorio, A.; Guzmán, F. S.

    2015-06-01

    We introduce CAFE, a new independent code designed to solve the equations of relativistic ideal magnetohydrodynamics (RMHD) in three dimensions. We present the standard tests for an RMHD code and for the relativistic hydrodynamics regime because we have not reported them before. The tests include the one-dimensional Riemann problems related to blast waves, head-on collisions of streams, and states with transverse velocities, with and without magnetic field, which is aligned or transverse, constant or discontinuous across the initial discontinuity. Among the two-dimensional (2D) and 3D tests without magnetic field, we include the 2D Riemann problem, a one-dimensional shock tube along a diagonal, the high-speed Emery wind tunnel, the Kelvin-Helmholtz (KH) instability, a set of jets, and a 3D spherical blast wave, whereas in the presence of a magnetic field we show the magnetic rotor, the cylindrical explosion, a case of Kelvin-Helmholtz instability, and a 3D magnetic field advection loop. The code uses high-resolution shock-capturing methods, and we present the error analysis for a combination that uses the Harten, Lax, van Leer, and Einfeldt (HLLE) flux formula combined with a linear, piecewise parabolic method and fifth-order weighted essentially nonoscillatory reconstructors. We use the flux-constrained transport and the divergence cleaning methods to control the divergence-free magnetic field constraint.

  8. CAFE: A NEW RELATIVISTIC MHD CODE

    Energy Technology Data Exchange (ETDEWEB)

    Lora-Clavijo, F. D.; Cruz-Osorio, A. [Instituto de Astronomía, Universidad Nacional Autónoma de México, AP 70-264, Distrito Federal 04510, México (Mexico); Guzmán, F. S., E-mail: fdlora@astro.unam.mx, E-mail: aosorio@astro.unam.mx, E-mail: guzman@ifm.umich.mx [Instituto de Física y Matemáticas, Universidad Michoacana de San Nicolás de Hidalgo. Edificio C-3, Cd. Universitaria, 58040 Morelia, Michoacán, México (Mexico)

    2015-06-22

    We introduce CAFE, a new independent code designed to solve the equations of relativistic ideal magnetohydrodynamics (RMHD) in three dimensions. We present the standard tests for an RMHD code and for the relativistic hydrodynamics regime because we have not reported them before. The tests include the one-dimensional Riemann problems related to blast waves, head-on collisions of streams, and states with transverse velocities, with and without magnetic field, which is aligned or transverse, constant or discontinuous across the initial discontinuity. Among the two-dimensional (2D) and 3D tests without magnetic field, we include the 2D Riemann problem, a one-dimensional shock tube along a diagonal, the high-speed Emery wind tunnel, the Kelvin–Helmholtz (KH) instability, a set of jets, and a 3D spherical blast wave, whereas in the presence of a magnetic field we show the magnetic rotor, the cylindrical explosion, a case of Kelvin–Helmholtz instability, and a 3D magnetic field advection loop. The code uses high-resolution shock-capturing methods, and we present the error analysis for a combination that uses the Harten, Lax, van Leer, and Einfeldt (HLLE) flux formula combined with a linear, piecewise parabolic method and fifth-order weighted essentially nonoscillatory reconstructors. We use the flux-constrained transport and the divergence cleaning methods to control the divergence-free magnetic field constraint.

  9. Experiments with stored relativistic exotic nuclei

    Energy Technology Data Exchange (ETDEWEB)

    Geissel, H.; Radon, T.; Attallah, F. [Gesellschaft fuer Schwerionenforschung mbH, Darmstadt (Germany)] [and others

    1998-07-01

    Beams of relativistic exotic nuclei were produced, separated and investigated with the combination of the fragment separator FRS and the storage ring ESR. The following experiments are presented: (1) Direct mass measurements of relativistic nickel and bismuth projectile fragments were performed using Schottky spectrometry. Applying electron cooling, the relative velocity spread of the circulating secondary nuclear beams of low intensity was reduced to below 10{sup -6}. The achieved mass resolving power of m/{Delta}m = 6.5 . 10{sup 5} (FWHM) in recent measurements represents an improvement by a factor of two compared to our previous experiments. The previously unknown masses of more than 100 proton-rich isotopes have been measured in the range of 54 {<=} Z {<=} 84. The results are compared with mass models and estimated values based on extrapolations of experimental values. (2) Exotic nuclei with half-lives shorter than the time required for electron cooling can be investigated by time-of-flight measurements with the ESR being operated in the isochronous mode. This novel experimental technique has been successfully applied in a first measurement with nickel fragments. A mass resolving power of m/{Delta}m = 1.5 . 10{sup 5} (FWHM) was achieved in this mode of operation. (3) Nuclear half-lives of stored and cooled bare projectile fragments have been measured to study the influence of the ionic charge state on the beta-decay probability. (orig.)

  10. CAFE: A New Relativistic MHD Code

    CERN Document Server

    Lora-Clavijo, F D; Guzman, F S

    2014-01-01

    We present CAFE, a new independent code designed to solve the equations of Relativistic ideal Magnetohydrodynamics (RMHD) in 3D. We present the standard tests for a RMHD code and for the Relativistic Hydrodynamics (RMD) regime since we have not reported them before. The tests include the 1D Riemann problems related to blast waves, head-on collision of streams and states with transverse velocities, with and without magnetic field, which is aligned or transverse, constant or discontinuous across the initial discontinuity. Among the 2D tests, without magnetic field we include the 2D Riemann problem, the high speed Emery wind tunnel, the Kelvin-Helmholtz instability test and a set of jets, whereas in the presence of a magnetic field we show the magnetic rotor, the cylindrical explosion and the Kelvin-Helmholtz instability. The code uses High Resolution Shock Capturing methods and as a standard set up we present the error analysis with a simple combination that uses the HLLE flux formula combined with linear, PPM ...

  11. Magnetic Field Structure in Relativistic Jets

    Directory of Open Access Journals (Sweden)

    Jermak Helen

    2013-12-01

    Full Text Available Relativistic jets are ubiquitous when considering an accreting black hole. Two of the most extreme examples of these systems are blazars and gamma-ray bursts (GRBs, the jets of which are thought to be threaded with a magnetic field of unknown structure. The systems are made up of a black hole accreting matter and producing, as a result, relativistic jets of plasma from the poles of the black hole. Both systems are viewed as point sources from Earth, making it impossible to spatially resolve the jet. In order to explore the structure of the magnetic field within the jet we take polarisation measurements with the RINGO polarimeters on the world’s largest fully autonomous, robotic optical telescope: The Liverpool Telescope. Using the polarisation degree and angle measured by the RINGO polarimeters it is possible to distinguish between global magnetic fields created in the central engine and random tangled magnetic fields produced locally in shocks. We also monitor blazar sources regularly during quiescence with periods of flaring monitored more intensively. Reported here are the early polarisation results for GRBs 060418 and 090102, along with future prospects for the Liverpool Telescope and the RINGO polarimeters.

  12. Relativistic numerical cosmology with silent universes

    Science.gov (United States)

    Bolejko, Krzysztof

    2018-01-01

    Relativistic numerical cosmology is most often based either on the exact solutions of the Einstein equations, or perturbation theory, or weak-field limit, or the BSSN formalism. The silent universe provides an alternative approach to investigate relativistic evolution of cosmological systems. The silent universe is based on the solution of the Einstein equations in 1  +  3 comoving coordinates with additional constraints imposed. These constraints include: the gravitational field is sourced by dust and cosmological constant only, both rotation and magnetic part of the Weyl tensor vanish, and the shear is diagnosable. This paper describes the code simsilun (free software distributed under the terms of the reposi General Public License), which implements the equations of the silent universe. The paper also discusses applications of the silent universe and it uses the Millennium simulation to set up the initial conditions for the code simsilun. The simulation obtained this way consists of 16 777 216 worldlines, which are evolved from z  =  80 to z  =  0. Initially, the mean evolution (averaged over the whole domain) follows the evolution of the background ΛCDM model. However, once the evolution of cosmic structures becomes nonlinear, the spatial curvature evolves from ΩK =0 to ΩK ≈ 0.1 at the present day. The emergence of the spatial curvature is associated with ΩM and Ω_Λ being smaller by approximately 0.05 compared to the ΛCDM.

  13. Relativistic electrons produced by foreshock disturbances

    CERN Document Server

    Wilson, L B; Turner, D L; Osmane, A; Caprioli, D; Angelopoulos, V

    2016-01-01

    Foreshock disturbances -- large-scale (~1000 km to >30,000 km), transient (~5-10 per day - lasting ~10s of seconds to several minutes) structures [1,2] - generated by suprathermal (>100 eV to 100s of keV) ions [3,4] arise upstream of Earth's bow shock formed by the solar wind colliding with the Earth's magnetosphere. They have recently been found to accelerate ions to energies of several keV [5,6]. Although electrons in Saturn's high Mach number (M > 40) bow shock can be accelerated to relativistic energies (nearly 1000 keV) [7], it has hitherto been thought impossible to accelerate electrons at the much weaker (M < 20) Earth's bow shock beyond a few 10s of keV [8]. Here we report observations of electrons energized by foreshock disturbances to energies up to at least ~300 keV. Although such energetic electrons have been previously reported, their presence has been attributed to escaping magnetospheric particles [9,10] or solar events [11]. These relativistic electrons are not associated with any solar act...

  14. Towards a unified lattice kinetic scheme for relativistic hydrodynamics

    Science.gov (United States)

    Gabbana, A.; Mendoza, M.; Succi, S.; Tripiccione, R.

    2017-05-01

    We present a systematic derivation of relativistic lattice kinetic equations for finite-mass particles, reaching close to the zero-mass ultrarelativistic regime treated in the previous literature. Starting from an expansion of the Maxwell-Jüttner distribution on orthogonal polynomials, we perform a Gauss-type quadrature procedure and discretize the relativistic Boltzmann equation on space-filling Cartesian lattices. The model is validated through numerical comparison with standard tests and solvers in relativistic fluid dynamics such as Boltzmann approach multiparton scattering and previous relativistic lattice Boltzmann models. This work provides a significant step towards the formulation of a unified relativistic lattice kinetic scheme, covering both massive and near-massless particles regimes.

  15. Relativistic BCS-BEC Crossover at Quark Level

    Directory of Open Access Journals (Sweden)

    Zhuang P.

    2010-10-01

    Full Text Available The non-relativistic G0G formalism of BCS-BEC crossover at finite temperature is extended to relativistic fermion systems. The theory recovers the BCS mean field approximation at zero temperature and the non-relativistic results in a proper limit. For massive fermions, when the coupling strength increases, there exist two crossovers from the weak coupling BCS superfluid to the non-relativistic BEC state and then to the relativistic BEC state. For color superconductivity at moderate baryon density, the matter is in the BCS-BEC crossover region, and the behavior of the pseudogap is quite similar to that found in high temperature superconductors.

  16. Relativistic Celestial Mechanics of the Solar System

    Science.gov (United States)

    Kopeikin, Sergei; Efroimsky, Michael; Kaplan, George

    2011-09-01

    The general theory of relativity was developed by Einstein a century ago. Since then, it has become the standard theory of gravity, especially important to the fields of fundamental astronomy, astrophysics, cosmology, and experimental gravitational physics. Today, the application of general relativity is also essential for many practical purposes involving astrometry, navigation, geodesy, and time synchronization. Numerous experiments have successfully tested general relativity to a remarkable level of precision. Exploring relativistic gravity in the solar system now involves a variety of high-accuracy techniques, for example, very long baseline radio interferometry, pulsar timing, spacecraft Doppler tracking, planetary radio ranging, lunar laser ranging, the global positioning system (GPS), torsion balances and atomic clocks. Over the last few decades, various groups within the International Astronomical Union have been active in exploring the application of the general theory of relativity to the modeling and interpretation of high-accuracy astronomical observations in the solar system and beyond. A Working Group on Relativity in Celestial Mechanics and Astrometry was formed in 1994 to define and implement a relativistic theory of reference frames and time scales. This task was successfully completed with the adoption of a series of resolutions on astronomical reference systems, time scales, and Earth rotation models by the 24th General Assembly of the IAU, held in Manchester, UK, in 2000. However, these resolutions only form a framework for the practical application of relativity theory, and there have been continuing questions on the details of the proper application of relativity theory to many common astronomical problems. To ensure that these questions are properly addressed, the 26th General Assembly of the IAU, held in Prague in August 2006, established the IAU Commission 52, "Relativity in Fundamental Astronomy". The general scientific goals of the new

  17. Telecommunications with a relativistic spacecraft optimized via the Karhunen-Loève Transform (KLT)

    Science.gov (United States)

    Maccone, Claudio

    1999-01-01

    KLT-studied also, but the calculations are, of course, even more difficult). Also, only rectilinear motions will be considered here. So, if one considers a source in relativistic motion, then the noisy signal undergoes a time-rescaling that depends on the type of relativistic motion. This author has demonstrated (Maccone, 1994) that the eigenfunctions of the time-rescaled, relativistic Brownian motion are Bessel functions of the first kind, and their eigenvalues are the zeros of such Bessel functions. In addition, it is shown here that explicit formulas for the KLT signal processing can be found for the particularly important cases of the noisy signals received on Earth from a relativistic spacecraft whose motion is either: 1) uniform: or 2) uniformly accelerated; or 3) arbitrarily accelerated (the most general case of arbitrary, rectilinear motion).

  18. The Relativistic Effects on the Carbon-Carbon Coupling Constants Mediated by a Heavy Atom.

    Science.gov (United States)

    Wodyński, Artur; Malkina, Olga L; Pecul, Magdalena

    2016-07-21

    The (2)JCC, (3)JCC, and (4)JCC spin-spin coupling constants in the systems with a heavy atom (Cd, In, Sn, Sb, Te, Hg, Tl, Pb, Bi, and Po) in the coupling path have been calculated by means of density functional theory. The main goal was to estimate the relativistic effects on spin-spin coupling constants and to explore the factors which may influence them, including the nature of the heavy atom and carbon hybridization. The methods applied range, in order of reduced complexity, from the Dirac-Kohn-Sham (DKS) method (density functional theory with four-component Dirac-Coulomb Hamiltonian), through DFT with two- and one-component zeroth-order regular approximation (ZORA) Hamiltonians, to scalar effective core potentials (ECPs) with the nonrelativistic Hamiltonian. The use of DKS and ZORA methods leads to very similar results, and small-core ECPs of the MDF and MWB variety reproduce correctly the scalar relativistic effects. Scalar relativistic effects usually are larger than the spin-orbit coupling effects. The latter tend to influence the most the coupling constants of the sp(3)-hybridized carbon atoms and in compounds of the p-block heavy atoms. Large spin-orbit coupling contributions for the Po compounds are probably connected with the inverse of the lowest triplet excitation energy.

  19. PADÉ APPROXIMANTS FOR THE EQUATION OF STATE FOR RELATIVISTIC HYDRODYNAMICS BY KINETIC THEORY

    Energy Technology Data Exchange (ETDEWEB)

    Tsai, Shang-Hsi; Yang, Jaw-Yen, E-mail: shanghsi@gmail.com [Institute of Applied Mechanics, National Taiwan University, Taipei 10764, Taiwan (China)

    2015-07-20

    A two-point Padé approximant (TPPA) algorithm is developed for the equation of state (EOS) for relativistic hydrodynamic systems, which are described by the classical Maxwell–Boltzmann statistics and the semiclassical Fermi–Dirac statistics with complete degeneracy. The underlying rational function is determined by the ratios of the macroscopic state variables with various orders of accuracy taken at the extreme relativistic limits. The nonunique TPPAs are validated by Taub's inequality for the consistency of the kinetic theory and the special theory of relativity. The proposed TPPA is utilized in deriving the EOS of the dilute gas and in calculating the specific heat capacity, the adiabatic index function, and the isentropic sound speed of the ideal gas. Some general guidelines are provided for the application of an arbitrary accuracy requirement. The superiority of the proposed TPPA is manifested in manipulating the constituent polynomials of the approximants, which avoids the arithmetic complexity of struggling with the modified Bessel functions and the hyperbolic trigonometric functions arising from the relativistic kinetic theory.

  20. Quantifying Extremely Rapid Flux Enhancements of Radiation Belt Relativistic Electrons Associated With Radial Diffusion

    Science.gov (United States)

    Liu, Si; Yan, Qi; Yang, Chang; Zhou, Qinghua; He, Zhaoguo; He, Yihua; Gao, Zhonglei; Xiao, Fuliang

    2018-02-01

    Previous studies have revealed a typical picture that seed electrons are transported inward under the drive of radial diffusion and then accelerated via chorus to relativistic energies. Here we show a potentially different process during the 2-3 October 2013 storm when Van Allen Probes observed extremely rapid (by about 50 times in 2 h) flux enhancements of relativistic (1.8-3.4 MeV) electrons but without distinct chorus at lower L-shells. Meanwhile, Time History of Events and Macroscale Interactions during Substorms satellites simultaneously measured enhanced chorus and fluxes of energetic (˜100-300 keV) seed electrons at higher L-shells. Numerical calculations show that chorus can efficiently accelerate seed electrons at L ˜ 8.3. Then radial diffusion further increased the phase space density of relativistic electrons throughout the outer radiation belts, with a remarkable agreement with the observation in magnitude and timescale. The current results provide a different physical scenario on the interplay between radial diffusion and local acceleration in outer radiation belt.