On the relativistic and nonrelativistic electron descriptions in high-energy atomic collisions

International Nuclear Information System (INIS)

Voitkiv, A.B

2007-01-01

We consider the relativistic and nonrelativistic descriptions of an atomic electron in collisions with point-like charged projectiles moving at relativistic velocities. We discuss three different forms of the fully relativistic first-order transition amplitude. Using the Schroedinger-Pauli equation to describe the atomic electron we establish the correct form of the nonrelativistic first-order transition amplitude. We also show that the so-called semi-relativistic treatment, in which the Darwin states are used to describe the atomic electron, is in fact fully equivalent to the nonrelativistic consideration. The comparison of results obtained with the relativistic and nonrelativistic electron descriptions shows that the latter is accurate within 20-30% up to Z a ∼ a is the atomic nuclear charge

The relativistic Scott correction for atoms and molecules

DEFF Research Database (Denmark)

Solovej, Jan Philip; Sørensen, Thomas Østergaard; Spitzer, Wolfgang L.

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 s......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 semi-classical nature. Our result on atoms and molecules is proved from a general semi-classical estimate for relativistic operators with potentials with Coulomb-like singularities. This semi-classical estimate is obtained using the coherent state calculus introduced in [36]. The paper contains...

Effects of relativistic small radial component on atomic photoionization cross sections

International Nuclear Information System (INIS)

Liu Xiaobin; Xing Yongzhong; Sun Xiaowei

2008-01-01

The effects of relativistic small radial component on atomic photoionization cross sections have been studied within relativistic average self-consistent field theory. Relativistic effects are relatively unimportant for low photon energy, along with a review of high-energy photoionization the relativistic effects are quite important. The effects of relativistic small radial component on photoionization process should show breakdown when the nuclear finite-size effects is taken into account. The compression of wavefunction into the space near nucleus is so strong in highly charged ions that the electronic radius greatly decreases, and the effects of relativistic small radial component on photoionization cross sections turn to stronger than ordinary atoms. Since relativistic effects are extremely sensitive to the behavior of small radial component, the results are in good agreement with relativistic effects on photoionization cross section. (authors)

The relativistic Scott correction for atoms and molecules

DEFF Research Database (Denmark)

Solovej, Jan Philip; Sørensen, Thomas Østergaard; Spitzer, Wolfgang L.

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 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...

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

Elementary relativistic atoms

International Nuclear Information System (INIS)

Nemenov, L.

2001-01-01

The Coulomb interaction which occurs in the final state between two particles with opposite charges allows for creation of the bound state of these particles. In the case when particles are generated with large momentum in lab frame, the Lorentz factors of the bound state will also be much larger than one. The relativistic velocity of the atoms provides the opportunity to observe bound states of (π + μ - ), (π + π - ) and (π + K - ) with a lifetime as short as 10 -16 s, and to measure their parameters. The ultrarelativistic positronium atoms (A 2e ) allow us to observe the e.ect of superpenetration in matter, to study the effects caused by the formation time of A 2e from virtual e + e - pairs and to investigate the process of transformation of two virtual particles into the bound state

The Los Alamos suite of relativistic atomic physics codes

International Nuclear Information System (INIS)

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

2015-01-01

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. (paper)

Self-consistent calculation of atomic structure for mixture

International Nuclear Information System (INIS)

Meng Xujun; Bai Yun; Sun Yongsheng; Zhang Jinglin; Zong Xiaoping

2000-01-01

Based on relativistic Hartree-Fock-Slater self-consistent average atomic model, atomic structure for mixture is studied by summing up component volumes in mixture. Algorithmic procedure for solving both the group of Thomas-Fermi equations and the self-consistent atomic structure is presented in detail, and, some numerical results are discussed

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).

Interaction of relativistic elementary atoms with matter. I. General formulas

International Nuclear Information System (INIS)

Mrowczyn'ski, S.

1987-01-01

The problem of the interaction of relativistic elementary atoms (Coulomb bound states of elementary particles such as positronium, pionium, etc.) with matter is studied in the reference frame where the atom is initially at rest. An atom of matter is treated as a spinless structureless fast particle. The amplitudes of elementary-atom interaction are derived in the Born approximation under the assumption that a momentum transfer to the atom does not significantly exceed an inverse Bohr radius of the atom. The elementary-atom excitation and ionization processes are considered. The transitions where the spin projection of the atom component is reversed are also studied. In particular the matrix elements for para-ortho and ortho-para transitions are given. The spin structure of the amplitudes is discussed in detail. The sum rules, which allow the calculation of the cross sections summed over atom final states are found. Finally the formulas of the atom interaction cross sections are presented

The K-shell ionisation of atoms by relativistic protons

International Nuclear Information System (INIS)

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

1978-01-01

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

Atomic physics using relativistic H- beams

International Nuclear Information System (INIS)

Bryant, H.C.

2005-01-01

Full text: An 8 GeV hydrogen atom can traverse a focused laser beam of width of 1 micron in a time of 353 attoseconds in its rest frame. A design is currently underway at Fermilab for a superconducting linear accelerator that will accelerate H - ions to 8 GeV. This 'Proton Driver' beam is intended to be injected, after stripping down to protons, into the 120 GeV Main Injector for the mass production of neutrinos aimed at a neutrino detector (MINOS) in a mine shaft in Soudan, Minnesota (USA) for the study of neutrino oscillations. It has not passed unnoticed that with some advance planning a few nanoamps from the up-to-250 mA beam could be diverted for atomic physics experiments. Relativistic kinematics enable the creation of extreme conditions for a beam atom. For example, the Doppler shift allows a very large tuning range in the atom's rest frame of a laser beam that is fixed- frequency in the lab. At 8 GeV the rest frame Doppler shift ranges from a factor of 19 in the forward direction to 0.05 backward. The laser intensity is enhanced by the square of the Doppler shift, so that the world's most intense laser beam would be amplified by a factor of 360 in the atom's rest frame. Furthermore, although there are extreme changes in the frequency and intensity in the atom's frame as one changes the intersection angle, the ponderomotive potential remains constant, as it is a relativistic invariant. One of the interesting problems that arises in the planning for this accelerator is the stripping of electrons from the negative ions by photodetachment from Doppler shifted thermal photons. We estimate that, if the transfer lines are kept at 300 K (room temperature), the mean free path at 8 GeV for stripping from collisions with cavity radiation is about 1300 km. The physics of the interactions of such a beam with very thin material foils, again in the attosecond regime, has been treated theoretically, but has not been studied experimentally at such high energies. We will

Analytic properties of the relativistic Thomas-Fermi equation and the total energy of atomic ions

International Nuclear Information System (INIS)

March, N.H.; Senatore, G.

1985-06-01

The analytic properties of solutions of the relativistic Thomas-Fermi equation which tend to zero at infinity are first examined, the neutral atom solution being a member of this class. A new length is shown to enter the theory, proportional to the square root of the fine structure constant. This information is used to develop a perturbation expansion around the neutral atom solution, corresponding to positive atomic ions with finite but large radii. The limiting law relating ionic radius to the degree of ionization is thereby displayed in functional form, and solved explicitly to lowest order in the fine structure constant. To embrace this knowledge of heavy positive ions, as well as results from the one-electron Dirac equation, a proposal is then advanced as to the analytic form of the relativistic total energy E(Z,N) of an atomic ion with nuclear charge Ze and total number of electrons N. The fact that, for N>1, the nucleus is known only to bind Z+n electrons, where n is 1 or 2, indicates non-analyticity in the complex Z plane, represented by a circle of radius Z approx.= N. Such non-analyticity is also a property of the non-relativistic energy derived from the many-electron Schroedinger equation. The relativistic theory, however, must also embody a second type of non-analyticity associated with the known property for N=1 that the Dirac equation predicts electron-positron pair production when the electronic binding energy becomes equal to twice the electron rest mass energy. This corresponds to a second circle of non-analyticity in E(Z,N), and hence to a Taylor-Laurent expansion of this quantity in the atomic number Z. The relation of this expansion to the Layzer-Bahcall series is finally discussed. (author)

Relativistic Spin-Orbit Heavy Atom on the Light Atom NMR Chemical Shifts: General Trends Across the Periodic Table Explained.

Science.gov (United States)

Vícha, Jan; Komorovsky, Stanislav; Repisky, Michal; Marek, Radek; Straka, Michal

2018-05-10

The importance of relativistic effects on the NMR parameters in heavy-atom (HA) compounds, particularly the SO-HALA (Spin-Orbit Heavy Atom on the Light Atom) effect on NMR chemical shifts, has been known for about 40 years. Yet, a general correlation between the electronic structure and SO-HALA effect has been missing. By analyzing 1 H NMR chemical shifts of the sixth-period hydrides (Cs-At), we discovered general electronic-structure principles and mechanisms that dictate the size and sign of the SO-HALA NMR chemical shifts. In brief, partially occupied HA valence shells induce relativistic shielding at the light atom (LA) nuclei, while empty HA valence shells induce relativistic deshielding. In particular, the LA nucleus is relativistically shielded in 5d 2 -5d 8 and 6p 4 HA hydrides and deshielded in 4f 0 , 5d 0 , 6s 0 , and 6p 0 HA hydrides. This general and intuitive concept explains periodic trends in the 1 H NMR chemical shifts along the sixth-period hydrides (Cs-At) studied in this work. We present substantial evidence that the introduced principles have a general validity across the periodic table and can be extended to nonhydride LAs. The decades-old question of why compounds with occupied frontier π molecular orbitals (MOs) cause SO-HALA shielding at the LA nuclei, while the frontier σ MOs cause deshielding is answered. We further derive connection between the SO-HALA NMR chemical shifts and Spin-Orbit-induced Electron Deformation Density (SO-EDD), a property that can be obtained easily from differential electron densities and can be represented graphically. SO-EDD provides an intuitive understanding of the SO-HALA effect in terms of the depletion/concentration of the electron density at LA nuclei caused by spin-orbit coupling due to HA in the presence of a magnetic field. Using an analogy between the SO-EDD concept and arguments from classic NMR theory, the complex question of the SO-HALA NMR chemical shifts becomes easily understandable for a wide

Report of seminar on relativistic approach to nuclear reaction and nuclear structure

International Nuclear Information System (INIS)

1986-05-01

A seminar on 'Relativistic Approach to Nuclear Reaction and Nuclear Structure' was held in 1985 at Osaka University. This booklet includes twenty-four reports given at the seminar, which deal with: Conventional Nonrelativistic Description of Nuclear Matter and Nuclear Spin-Orbit Interactions; Relativistic Approach to Nuclear Structure; Atomic and Molecular Structure Calculations; Electromagnetic Interaction in Nucleus and Relativistic Effect; Nuclear Magnetic Moment in the Relativistic Mean Field Theory, Effective Mass and Particle-Vibration Coupling in the Relativistic σ-ω Model; Gauge Invariance in Relativistic Many-Body Theory; Relativistic Description of Nucleon-Nucleon Interaction in Review; σ-Particle in NN Interaction; Nuclear Optical Potentials Based on the Brueckner-Hartree-Fock Approach; Elastic Backscattering and Optical Potential; Description of Intermediate-Energy Nuclear Reactions; Dirac Phenomenology at E(p) = 65 MeV; Relativistic Impulse Approximation; Reaction Studies with Intermediate Energy Deuterons at SATURNE; Folding Model for Intermediate-Energy Deutron Scattering; Folding Model for Polarized Deutron Scattering at 700 MeV; Dirac Approach Problems and a Different Viewpoint; Relativistic Approach and EMC Effect; Quasielastic Electron Scattering; Response Function of Quasielastic Electron Scattering; Relativistic Hartree Response Function for Quasielastic Electron Scattering on 12 C and 40 Ca; Backflow-, Retardation- and Relativistic Effects on the Longitudinal Response Function of Nuclear Matter; Pion-Photoproduction in the σ-ω Model. (Nogami, K.)

The L1-shell ionisation of atoms by relativistic particles

International Nuclear Information System (INIS)

Moiseiwitsch, B.L.; Norrington, P.H.

1979-01-01

An expression for the L 1 -shell ionisation cross sections of atoms by high-energy particles has been derived using the relativistic plane-wave Born approximation. The incident and scattered particles are described by Dirac plane waves while Darwin hydrogenic wavefunctions are used for the atomic electrons. A comparison is made with experimental total cross sections for incident electrons in the energy range 1-2 MeV. The agreement is a considerable improvement on that obtained using the non-relativistic planewave Born approximation. (author)

Relativistic total energy and chemical potential of heavy atoms and positive ions

International Nuclear Information System (INIS)

Hill, S.H.; Grout, P.J.; March, N.H.

1984-01-01

The relativistic Thomas-Fermi theory, with a finite nucleus, is used to study the variation of the chemical potential μ with atomic number Z and number of electrons N (N <= Z). The difference between the total energy of positive ions and that of the corresponding neutral atom has been obtained. The scaling predictions are confirmed by numerical calculations. The first principles calculation of the relativistic Thomas-Fermi total energy of neutral atoms is also studied. (author)

Electronic structure of molecules using relativistic effective core potentials

International Nuclear Information System (INIS)

Hay, P.J.

1981-01-01

Starting with one-component Cowan-Griffin relativistic Hartree-Fock orbitals, which successfully incorporate the mass-velocity and Darwin terms present in more complicated wavefunctions such as Dirac-Hartree-Fock, one can derive relativistic effective core potentials (RECP's) to carry out molecular calculations. These potentials implicitly include the dominant relativistic terms for molecules while allowing one to use the traditional quantum chemical techniques for studying the electronic structure of molecules. The effects of spin-orbit coupling can then be included using orbitals from such calculations using an effective 1-electron, 1-center spin-orbit operator. Applications to molecular systems involving heavy atoms, show good agreement with available spectroscopic data on molecular geometries and excitation energies

Atomic structure of highly-charged ions. Final report

International Nuclear Information System (INIS)

Livingston, A. Eugene

2002-01-01

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

Calculating Relativistic Transition Matrix Elements for Hydrogenic Atoms Using Monte Carlo Methods

Science.gov (United States)

Alexander, Steven; Coldwell, R. L.

2015-03-01

The nonrelativistic transition matrix elements for hydrogen atoms can be computed exactly and these expressions are given in a number of classic textbooks. The relativistic counterparts of these equations can also be computed exactly but these expressions have been described in only a few places in the literature. In part, this is because the relativistic equations lack the elegant simplicity of the nonrelativistic equations. In this poster I will describe how variational Monte Carlo methods can be used to calculate the energy and properties of relativistic hydrogen atoms and how the wavefunctions for these systems can be used to calculate transition matrix elements.

Breakup of relativistic π+π- atoms in matter

International Nuclear Information System (INIS)

Afanasyev, L.G.; Tarasov, A.V.

1996-01-01

The relativistic motion of atoms formed by π+ and π- mesons in matter is considered. Exact analytic expressions for the form factors of hydrogenlike atoms for discrete-discrete transitions are obtained in a form convenient for numerical calculations. The total and transition cross sections for the interaction of π+π- atoms with matter are calculated in the Born approximation. The evolution of atomic-state populations is treated in terms of kinetic equations. The method of calculation makes it possible to obtain the populations of discrete atomic states, as well as the probability of transitions to the continuous spectrum (ionization). The proposed method yields the first experimental estimate of the lifetime of the π+π- atom

Novel radio-frequency gun structures for ultrafast relativistic electron diffraction.

Science.gov (United States)

Musumeci, P; Faillace, L; Fukasawa, A; Moody, J T; O'Shea, B; Rosenzweig, J B; Scoby, C M

2009-08-01

Radio-frequency (RF) photoinjector-based relativistic ultrafast electron diffraction (UED) is a promising new technique that has the potential to probe structural changes at the atomic scale with sub-100 fs temporal resolution in a single shot. We analyze the limitations on the temporal and spatial resolution of this technique considering the operating parameters of a standard 1.6 cell RF gun (which is the RF photoinjector used for the first experimental tests of relativistic UED at Stanford Linear Accelerator Center; University of California, Los Angeles; Brookhaven National Laboratory), and study the possibility of employing novel RF structures to circumvent some of these limits.

Relativistic effects on complexity indexes in atoms in position and momentum spaces

International Nuclear Information System (INIS)

Maldonado, P.; Sarsa, A.; Buendia, E.; Galvez, F.J.

2010-01-01

Three different statistical measures of complexity are explored for the atoms He to Ra. The measures are analysed in both position and momentum spaces. Relativistic effects on the complexity indexes are systematically studied. These effects are discussed in terms of the information content factor and the disorder terms of the complexity indexes. Relativistic and non-relativistic complexity indexes are calculated from Optimized Effective Potential densities.

Approximate relativistic corrections to atomic radial wave functions

International Nuclear Information System (INIS)

Cowan, R.D.; Griffin, D.C.

1976-01-01

The mass-velocity and Darwin terms of the one-electron-atom Pauli equation have been added to the Hartree-Fock differential equations by using the HX formula to calculate a local central field potential for use in these terms. Introduction of the quantum number j is avoided by omitting the spin-orbit term of the Pauli equation. The major relativistic effects, both direct and indirect, are thereby incorporated into the wave functions, while allowing retention of the commonly used nonrelativistic formulation of energy level calculations. The improvement afforded in calculated total binding energies, excitation energies, spin-orbit parameters, and expectation values of r/sub m/ is comparable with that provided by fully relativistic Dirac-Hartree-Fock calculations

Dynamic bremsstrahlung from relativistic particles scattered by atom

International Nuclear Information System (INIS)

Astapenko, V.A.; Bujmistrov, V.M.; Krotov, Yu.A.; Mikhajlov, L.K.; Trakhtenberg, L.I.

1985-01-01

The bremsstrahlung cross section for a relativistic particle scattered by an atom is calculated. In contrast to the screening approximation usually employed, the influence of the atomic electron on the bremsstrahlung is taken into account exactly, viz., the atomic electron is considered as a moving particle interacting with the electromagnetic field and not only as the source of a static external field. Consequently, along with the static term which leads to the Bethe-Heitw,ler formula, a ne dynamic, term appears in the transition amplitude. The corresponding cross section, the dynamic bremsstrahlung cross section, in certain frequensy ranges and certain ranges of the directions of photon emission exceeds considerably the static bremsstrahlung cross section

Relativistic Normal Coupled-Cluster Theory for Accurate Determination of Electric Dipole Moments of Atoms: First Application to the ^{199}Hg Atom.

Science.gov (United States)

Sahoo, B K; Das, B P

2018-05-18

Recent relativistic coupled-cluster (RCC) calculations of electric dipole moments (EDMs) of diamagnetic atoms due to parity and time-reversal violating (P,T-odd) interactions, which are essential ingredients for probing new physics beyond the standard model of particle interactions, differ substantially from the previous theoretical results. It is therefore necessary to perform an independent test of the validity of these results. In view of this, the normal coupled-cluster method has been extended to the relativistic regime [relativistic normal coupled-cluster (RNCC) method] to calculate the EDMs of atoms by simultaneously incorporating the electrostatic and P,T-odd interactions in order to overcome the shortcomings of the ordinary RCC method. This new relativistic method has been applied to ^{199}Hg, which currently has a lower EDM limit than that of any other system. The results of our RNCC and self-consistent RCC calculations of the EDM of this atom are found to be close. The discrepancies between these two results on the one hand and those of previous calculations on the other are elucidated. Furthermore, the electric dipole polarizability of this atom, which has computational similarities with the EDM, is evaluated and it is in very good agreement with its measured value.

Relativistic Normal Coupled-Cluster Theory for Accurate Determination of Electric Dipole Moments of Atoms: First Application to the 199Hg Atom

Science.gov (United States)

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

2018-05-01

Recent relativistic coupled-cluster (RCC) calculations of electric dipole moments (EDMs) of diamagnetic atoms due to parity and time-reversal violating (P ,T -odd) interactions, which are essential ingredients for probing new physics beyond the standard model of particle interactions, differ substantially from the previous theoretical results. It is therefore necessary to perform an independent test of the validity of these results. In view of this, the normal coupled-cluster method has been extended to the relativistic regime [relativistic normal coupled-cluster (RNCC) method] to calculate the EDMs of atoms by simultaneously incorporating the electrostatic and P ,T -odd interactions in order to overcome the shortcomings of the ordinary RCC method. This new relativistic method has been applied to 199Hg, which currently has a lower EDM limit than that of any other system. The results of our RNCC and self-consistent RCC calculations of the EDM of this atom are found to be close. The discrepancies between these two results on the one hand and those of previous calculations on the other are elucidated. Furthermore, the electric dipole polarizability of this atom, which has computational similarities with the EDM, is evaluated and it is in very good agreement with its measured value.

Experimental determination of the relativistic fine structure splitting in a pionic atom

International Nuclear Information System (INIS)

Wang, K.-C.; Boehm, F.; Hahn, A.A.; Henrikson, H.E.; Miller, J.P.; Powers, R.J.; Vogel, P.; Vuilleumier, J.-L.; Kunselman, R.

1978-01-01

Using a high-resolution crystal spectrometer, the authors have measured the energy splitting of the pionic 5g-4f and 5f-4d transitions in Ti. The observed fine structure splitting agrees, within the experimental error of 3%, with the splitting arising from the calculated relativistic term and other small corrections for spinless particles. (Auth.)

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

International Nuclear Information System (INIS)

Oshima, Sachiko; Fujita, Takehisa; Asaga, Tomoko

2007-01-01

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

Total cross section for relativistic positronium interaction with atom

International Nuclear Information System (INIS)

Pak, A.S.; Tarasov, A.V.

1985-01-01

Total cross sections of interaction of positronium relativistic atoms with atoms are calculated. Calculations are conducted within the framework of potential theory in Born approximaton. Contributions in total cross section of coherent (σsub(coh)) and incoherent (σsub(inc)) parts are analyzed. It is shown that for light elements σsub(inc) value is comparable with σsub(coh), and for heavy ones the ratio σsub(inc)/σsub(coh) sufficiently exceeds Zsup(-1) (Z-charge of the atomic nucleus. Numerical calculation results are presented. A conclusion is made on importance of the coherent part account during the calculation of total cross sections

Relativistic Hydrogen-Like Atom on a Noncommutative Phase Space

Science.gov (United States)

Masum, Huseyin; Dulat, Sayipjamal; Tohti, Mutallip

2017-09-01

The energy levels of hydrogen-like atom on a noncommutative phase space were studied in the framework of relativistic quantum mechanics. The leading order corrections to energy levels 2 S 1/2, 2 P 1/2 and 2 P 3/2 were obtained by using the 𝜃 and the \\bar θ modified Dirac Hamiltonian of hydrogen-like atom on a noncommutative phase space. The degeneracy of the energy levels 2 P 1/2 and 2 P 3/2 were removed completely by 𝜃-correction. And the \\bar θ -correction shifts these energy levels.

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.

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

Energy Technology Data Exchange (ETDEWEB)

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

2016-07-07

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

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

International Nuclear Information System (INIS)

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

2016-01-01

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

Atomic parity nonconservation: Electroweak parameters and nuclear structure

International Nuclear Information System (INIS)

Pollock, S.J.; Fortson, E.N.; Wilets, L.

1992-01-01

There have been suggestions to measure atomic parity nonconservation (PNC) along an isotopic chain, by taking ratios of observables in order to cancel complicated atomic-structure effects. Precise atomic PNC measurements could make a significant contribution to tests of the standard model at the level of one-loop radiative corrections. However, the results also depend upon certain features of nuclear structure, such as the spatial distribution of neutrons in the nucleus. To examine the sensitivity to nuclear structure, we consider the case of Pb isotopes using various recent relativistic and nonrelativistic nuclear model calculations. Contributions from nucleon internal weak structure are included, but found to be fairly negligible. The spread among present models in predicted sizes of nuclear-structure effects may preclude using Pb isotope ratios to test the standard model at better than a 1% level, unless there are adequate independent tests of the nuclear models by various alternative strong and electroweak nuclear probes. On the other hand, sufficiently accurate atomic PNC experiments would provide a unique method to measure neutron distributions in heavy nuclei

Quantum electrodynamics and the relativistic theory of many-electron atoms

International Nuclear Information System (INIS)

Sucher, J.

1981-01-01

The development of relativistic theories of many-electron atoms is reviewed, with emphasis on the fact that the Dirac-Coulomb Hamiltonian H/sub DC/ has no bound states. This fact implies that neither the Dirac-Hartree-Fock (DHF) equations nor the DHF wavefunction chi have a simple theoretical interpretation. A no-pair hamiltonian H/sub +/ is defined which does not have the fatal flaw of H/sub DC/ and hence can serve as a starting point for a systematic study of relativistic effects in many-electron atoms which can go beyond central-field approximations. H/sub +/ differs from H/sub DC/ by the presence of external-field positive-energy projection operators in the electron-electron interaction terms. Unlike H/sub DC/, H/sub +/ and its eigenfunctions psi have a clear-cut field-theoretic meaning, which is described. Similar remarks hold for a simpler no-pair Hamiltonian h/sub +/, which involves free positive-energy projection operators and for related Hamiltonians H/sub +/' and h/sup +/' which include the Breit operator. Relativistic Hartree-Fock equations are obtained from H/sub +/ and the relation between their solutions psi and the DHF solutions chi is discussed. The DHF equations may be reinterpreted as approximations to the new HF-type equations; this provides a rationale for their success in applications. It is argued that the Breit operator ought to be included even in the original DHF equations

Relativistic time-dependent local-density approximation theory and applications to atomic physics

International Nuclear Information System (INIS)

Parpia, F.Z.

1984-01-01

A time-dependent linear-response theory appropriate to the relativistic local-density approximation (RLDA) to quantum electrodynamics (QED) is developed. The resulting theory, the relativistic time-dependent local-density approximation (RTDLDA) is specialized to the treatment of electric excitations in closed-shell atoms. This formalism is applied to the calculation of atomic photoionization parameters in the dipole approximation. The static-field limit of the RTDLDA is applied to the calculation of dipole polarizabilities. Extensive numerical calculations of the photoionization parameters for the rare gases neon, argon, krypton, and xenon, and for mercury from the RTDLDA are presented and compared in detail with the results of other theories, in particular the relativistic random-phase approximation (RRPA), and with experimental measurements. The predictions of the RTDLDA are comparable with the RRPA calculations made to date. This is remarkable in that the RTDLDA entails appreciably less computational effort. Finally, the dipole polarizabilities predicted by the static-field RTDLDA are compared with other determinations of these quantities. In view of its simplicity, the static-field RTDLDA demonstrates itself to be one of the most powerful theories available for the calculation of dipole polarizabilities

Relativistic approach to nuclear structure

International Nuclear Information System (INIS)

Nguyen Van Giai; Bouyssy, A.

1987-03-01

Some recent works related with relativistic models of nuclear structure are briefly reviewed. The Dirac-Hartree-Fock and Dirac-Brueckner-Hartree-Fock are recalled and illustrated by some examples. The problem of isoscalar current and magnetic moments of odd nuclei is discussed. The application of the relativistic model to the nuclear response function is examined

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

International Nuclear Information System (INIS)

Romero, Rodolfo H.; Gomez, Sergio S.

2006-01-01

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

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.

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

OpenAIRE

KHABIBULLAEV, P. K.

2014-01-01

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.

Relativistic description of atomic nuclei

International Nuclear Information System (INIS)

Krutov, V.A.

1985-01-01

Papers on the relativistic description of nuclei are reviewed. The Brown and Rho ''small'' bag'' model is accepted for hardrons. Meson exchange potentials of the nucleon-nucleon interaction have been considered. Then the transition from a system of two interacting nucleons has been performed to the relativistic nucleus description as a multinucleon system on the basis of OBEP (one-boson exchange potential). The proboem of OPEP (one-pion-exchange potential) inclusion to a relativistic scheme is discussed. Simplicity of calculations and attractiveness of the Walecka model for specific computations and calculations was noted. The relativistic model of nucleons interacting through ''effective'' scalar and vector boson fields was used in the Walacka model for describing neutronaand nuclear mater matters

Relativistic Transitions in the Hydrogenic Atoms

CERN Document Server

Boudet, R

2009-01-01

When one approaches the study of the quantal relativistic theory of the electron, one may be surprised by the gap which lies between the frame of the experiments, i.e. the real geometry of the space and time, and the abstraction of the complex matrices and spinors formalism employed in the presentation of the theory. This book uses a theory of the electron, introduced by David Hestenes, in which the mathematical language is the same as the one of the geometry of the space and time. Such a language not only allows one to find again the well known results concerning the one-electron atoms theory but furthermore leads easily to the resolution of problems considered for a long time without solution.

Relativistic theory of tunnel and multiphoton ionization of atoms in a strong laser field

International Nuclear Information System (INIS)

Popov, V. S.; Karnakov, B. M.; Mur, V. D.; Pozdnyakov, S. G.

2006-01-01

Relativistic generalization is developed for the semiclassical theory of tunnel and multiphoton ionization of atoms and ions in the field of an intense electromagnetic wave (Keldysh theory). The cases of linear, circular, and elliptic polarizations of radiation are considered. For arbitrary values of the adiabaticity parameter γ, the exponential factor in the ionization rate for a relativistic bound state is calculated. For low-frequency laser radiation , an asymptotically exact formula for the tunnel ionization rate for the atomic s level is obtained including the Coulomb, spin, and adiabatic corrections and the preexponential factor. The ionization rate for the ground level of a hydrogen-like atom (ion) with Z ≤ 100 is calculated as a function of the laser radiation intensity. The range of applicability is determined for nonrelativistic ionization theory. The imaginary time method is used in the calculations

Relativistic electronic dressing in laser-assisted ionization of atomic hydrogen by electron impact

International Nuclear Information System (INIS)

Attaourti, Y.; Taj, S.

2004-01-01

Within the framework of the coplanar binary geometry where it is justified to use plane wave solutions for the study of the (e,2e) reaction and in the presence of a circularly polarized laser field, we introduce as a first step the Dirac-Volkov plane wave Born approximation 1 where we take into account only the relativistic dressing of the incident and scattered electrons. Then, we introduce the Dirac-Volkov plane wave Born approximation 2 where we take totally into account the relativistic dressing of the incident, scattered, and ejected electrons. We then compare the corresponding triple differential cross sections for laser-assisted ionization of atomic hydrogen by electron impact both for the nonrelativistic and the relativistic regime

Relativistic and Non-Relativistic Electronic Molecular-Structure Calculations for Dimers of 4p-, 5p-, and 6p-Block Elements

DEFF Research Database (Denmark)

Hofener, S.; Ahlrichs, R.; Knecht, S.

2012-01-01

We report results of non-relativistic and two-component relativistic single-reference coupled-cluster with single and double and perturbative triple excitations [CCSD(T)] treatments for the 4p-block dimers Ga2 to Br2, the 5p-block dimers In2 to I2, and their atoms. Extended basis sets up...

Electromagnetic interactions in relativistic infinite component wave equations

International Nuclear Information System (INIS)

Gerry, C.C.

1979-01-01

The electromagnetic interactions of a composite system described by relativistic infinite-component wave equations are considered. The noncompact group SO(4,2) is taken as the dynamical group of the systems, and its unitary irreducible representations, which are infinite dimensional, are used to find the energy spectra and to specify the states of the systems. First the interaction mechanism is examined in the nonrelativistic SO(4,2) formulation of the hydrogen atom as a heuristic guide. A way of making a minimal relativistic generalization of the minimal ineractions in the nonrelativistic equation for the hydrogen atom is proposed. In order to calculate the effects of the relativistic minimal interactions, a covariant perturbation theory suitable for infinite-component wave equations, which is an algebraic and relativistic version of the Rayleigh-Schroedinger perturbation theory, is developed. The electric and magnetic polarizabilities for the ground state of the hydrogen atom are calculated. The results have the correct nonrelativistic limits. Next, the relativistic cross section of photon absorption by the atom is evaluated. A relativistic expression for the cross section of light scattering corresponding to the seagull diagram is derived. The Born amplitude is combusted and the role of spacelike solutions is discussed. Finally, internal electromagnetic interactions that give rise to the fine structure splittings, the Lamb shifts and the hyperfine splittings are considered. The spin effects are introduced by extending the dynamical group

A quasi-relativistic treatment of nuclear motion in atoms and molecules

International Nuclear Information System (INIS)

Chen, W.Q.; Cook, A.H.

1987-01-01

A quasi-relativistic Hamiltonian for an atom and a molecule is constructed. The Foldy-Wouthuysen transformation is applied to the Hamiltonian. Consequently, extra terms from interactions between the electronic motion and the nuclear magnetic field contributing to the Darwin term and the spin-orbit coupling are derived explicitly. Moreover, the coupling between nuclear motion and the spin of the electron is obtained. (author)

A unified treatment of the non-relativistic and relativistic hydrogen atom: Pt. 2

International Nuclear Information System (INIS)

Swainson, R.A.; Drake, G.W.F.

1991-01-01

This is the second in a series of three papers in which it is shown how the radial part of non-relativistic and relativistic hydrogenic bound-state calculations involving the Green functions can be presented in a unified manner. In this paper the non-relativistic Green function is examined in detail; new functional forms are presented and a clear mathematical progression is show to link these and most other known forms. A linear transformation of the four radial parts of the relativistic Green function is given which allows for the presentation of this function as a simple generalization of the non-relativistic Green function. Thus, many properties of the non-relativistic Green function are shown to have simple relativistic generalizations. In particular, new recursion relations of the radial parts of both the non-relativistic and relativistic Green functions are presented, along with new expressions for the double Laplace transforms and recursion relations between the radial matrix elements. (author)

Hydrogen atom as test field of theoretical models

International Nuclear Information System (INIS)

Baiquni, A.

1976-01-01

Semi classical theory, covering Bohr atom theory, Bohr Sommerfeld theory, Sommerfeld relativistic theory, and quantum theory such as particle and complementarity dualism, wave mechanics, approximation method, relativistic quantum mechanics, and hydrogen atom fine structure, are discussed. (SMN)

Importance of Relativistic Effects and Electron Correlation in Structure Factors and Electron Density of Diphenyl Mercury and Triphenyl Bismuth.

Science.gov (United States)

Bučinský, Lukáš; Jayatilaka, Dylan; Grabowsky, Simon

2016-08-25

This study investigates the possibility of detecting relativistic effects and electron correlation in single-crystal X-ray diffraction experiments using the examples of diphenyl mercury (HgPh2) and triphenyl bismuth (BiPh3). In detail, the importance of electron correlation (ECORR), relativistic effects (REL) [distinguishing between total, scalar and spin-orbit (SO) coupling relativistic effects] and picture change error (PCE) on the theoretical electron density, its topology and its Laplacian using infinite order two component (IOTC) wave functions is discussed. This is to develop an understanding of the order of magnitude and shape of these different effects as they manifest in the electron density. Subsequently, the same effects are considered for the theoretical structure factors. It becomes clear that SO and PCE are negligible, but ECORR and scalar REL are important in low- and medium-order reflections on absolute and relative scales-not in the high-order region. As a further step, Hirshfeld atom refinement (HAR) and subsequent X-ray constrained wavefunction (XCW) fitting have been performed for the compound HgPh2 with various relativistic and nonrelativistic wave functions against the experimental structure factors. IOTC calculations of theoretical structure factors and relativistic HAR as well as relativistic XCW fitting are presented for the first time, accounting for both scalar and spin-orbit relativistic effects.

Relativistic Quantum Mechanics

International Nuclear Information System (INIS)

Antoine, J-P

2004-01-01

The aim of relativistic quantum mechanics is to describe the finer details of the structure of atoms and molecules, where relativistic effects become nonnegligible. It is a sort of intermediate realm, between the familiar nonrelativistic quantum mechanics and fully relativistic quantum field theory, and thus it lacks the simplicity and elegance of both. Yet it is a necessary tool, mostly for quantum chemists. Pilkuhn's book offers to this audience an up-to-date survey of these methods, which is quite welcome since most previous textbooks are at least ten years old. The point of view of the author is to start immediately in the relativistic domain, following the lead of Maxwell's equations rather than classical mechanics, and thus to treat the nonrelativistic version as an approximation. Thus Chapter 1 takes off from Maxwell's equations (in the noncovariant Coulomb gauge) and gradually derives the basic aspects of Quantum Mechanics in a rather pedestrian way (states and observables, Hilbert space, operators, quantum measurement, scattering,. Chapter 2 starts with the Lorentz transformations, then continues with the Pauli spin equation and the Dirac equation and some of their applications (notably the hydrogen atom). Chapter 3 is entitled 'Quantum fields and particles', but falls short of treating quantum field theory properly: only creation/annihilation operators are considered, for a particle in a box. The emphasis is on two-electron states (the Pauli principle, the Foldy--Wouthuysen elimination of small components of Dirac spinors, Breit projection operators. Chapter 4 is devoted to scattering theory and the description of relativistic bound states. Chapter 5, finally, covers hyperfine interactions and radiative corrections. As we said above, relativistic quantum mechanics is by nature limited in scope and rather inelegant and Pilkuhn's book is no exception. The notation is often heavy (mostly noncovariant) and the mathematical level rather low. The central topic

Electronic structure of molecules using relativistic effective core potentials

International Nuclear Information System (INIS)

Hay, P.J.

1983-01-01

In this review an approach is outlined for studying molecules containing heavy atoms with the use of relativistic effective core potentials (RECP's). These potentials play the dual roles of (1) replacing the chemically-inert core electrons and (2) incorporating the mass velocity and Darwin term into a one-electron effective potential. This reduces the problem to a valence-electron problem and avoids computation of additional matrix elements involving relativistic operators. The spin-orbit effects are subsequently included using the molecular orbitals derived from the RECP calculation as a basis

Theoretical and experimental investigation of atomic radiative lifetimes and hyperfine structures

International Nuclear Information System (INIS)

Joensson, Per.

1992-01-01

Atomic radiative lifetimes and hyperfine structures as well as other properties, such as total energy and specific mass shift, have been studied theoretically and experimentally. Computer programs to calculate hyperfine structure constants from non-relativistic multiconfiguration Hartree-Fock (MCHF) and relativistic multi-configuration Dirac-Fock (MCDF) wavefunctions have been written. Using these programs large-scale calculations of hyperfine structures in lithium and sodium have been performed. It is shown, that the MCHF method is able to predict hyperfine structures to an accuracy of a few per mille in lithium, whereas for the more complex hyperfine structures to an accuracy of a few per mille in lithium, whereas for the more complex sodium atom an accuracy of a few per cent is obtainable. For lithium convergence of the total energy, ionization energy, specific mass shift and hyperfine parameters has been studied with the MCHF method. Radiative lifetimes and hyperfine structures of excited states in sodium and silver have been experimentally determined using time-resolved laser spectroscopy. By recording the fluorescence light decay curves following VUV excitation, the radiative lifetimes and hyperfine structures of the 7p 2 P states in silver were measured. The delayed-coincidence technique has been used to make very accurate measurements of the radiative lifetimes and hyperfine structures of the lowest P states in sodium and silver

Excitation of atomic nuclei and atoms by relativistic charge particles bound in a one-dimensional potential

International Nuclear Information System (INIS)

Almaliev, A.N.; Batkin, I.S.; Kopytin, I.V.

1987-01-01

The process of exciting atoms and atomic nuclei by relativistic electrons and positrons bound in a one-dimensional potential is investigated theoretically. It is shown that a pole corresponding to the emergence of a virtual photon on a bulk surface occurs in the matrix interaction element under definite kinematic relationships. It is obtained that the probability of the excitation process depends on the lifetime of the level being excited, the virtual photon, and the charged particle in a definite energetic state. An estimate of the magnitude of the excitation section of low-lying nuclear states yields a value exceeding by several orders the section obtained for charged particles in the absence of a binding potential

A new formulation of the relativistic many-body theory of electric dipole moments of closed shell atoms

International Nuclear Information System (INIS)

Latha, K V P; Angom, Dilip; Chaudhuri, Rajat K; Das, B P; Mukherjee, Debashis

2007-01-01

The electric dipole moments of closed-shell atoms are sensitive to the parity and time-reversal violating phenomena in the nucleus. The nuclear Schiff moment is one such property, it arises from the parity and time reversal violating quark-quark interactions and the quark-chromo electric dipole moments. We calculate the electric dipole moment of atomic 199 Hg arising from the nuclear Schiff moment using the relativistic coupled-cluster theory. This is the most accurate calculation of the quantity to date. Our calculations in combination with the experiment data provide important insights to the P and T violating coupling constants at the elementary particle level. In addition, a new limit on the tensor-pseudo tensor induced atomic EDM, calculated using the relativistic coupled-cluster theory is also presented

Invariance Lie algebra and group of the non relativistic hydrogen atom

International Nuclear Information System (INIS)

Decoster, Alain

1970-01-01

The first part of this work contains a general survey of the use of Lie groups and algebras in quantum mechanics, followed by an extensive description of tbe invariance algebra and invariance group of the non-relativistic hydrogen atom; the realization of this group discovered by FOCK is specially examined. The second part is a two-hundred items bibliography on invariance groups and algebras of classical and quantum-mechanical simple systems. (author) [fr

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. )

New Equations for Calculating Principal and Fine-Structure Atomic Spectra for Single and Multi-Electron Atoms

Energy Technology Data Exchange (ETDEWEB)

Surdoval, Wayne A. [National Energy Technology Lab. (NETL), Pittsburgh, PA, (United States); Berry, David A. [National Energy Technology Lab. (NETL), Morgantown, WV (United States); Shultz, Travis R. [National Energy Technology Lab. (NETL), Morgantown, WV (United States)

2018-03-09

A set of equations are presented for calculating atomic principal spectral lines and fine-structure energy splits for single and multi-electron atoms. Calculated results are presented and compared to the National Institute of Science and Technology database demonstrating very good accuracy. The equations do not require fitted parameters. The only experimental parameter required is the Ionization energy for the electron of interest. The equations have comparable accuracy and broader applicability than the single electron Dirac equation. Three Appendices discuss the origin of the new equations and present calculated results. New insights into the special relativistic nature of the Dirac equation and its relationship to the new equations are presented.

Angular momentum in non-relativistic QED and photon contribution to spin of hydrogen atom

International Nuclear Information System (INIS)

Chen Panying; Ji Xiangdong; Xu Yang; Zhang Yue

2010-01-01

We study angular momentum in non-relativistic quantum electrodynamics (NRQED). We construct the effective total angular momentum operator by applying Noether's theorem to the NRQED lagrangian. We calculate the NRQED matching for the individual components of the QED angular momentum up to one loop. We illustrate an application of our results by the first calculation of the angular momentum of the ground state hydrogen atom carried in radiative photons, α em 3 /18π, which might be measurable in future atomic experiments.

Two centre problems in relativistic atomic physics

Energy Technology Data Exchange (ETDEWEB)

McConnell, Sean R.

2013-01-09

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

Relativistic correlations in atoms

International Nuclear Information System (INIS)

Dietz, K.

1987-01-01

Atoms are particularly well-suited objects when it comes to testing certain concepts of many-body theories. They play a unique role in this respect because of two constructively interfering reasons: first of all, the laws describing the interactions of their constituents are the ones best known in all of Physics; secondly, their structure is comparatively simple and amenable to concise theoretical treatment. Because of these two reasons, physically motivated many-body approximation schemes, ordered in a systematic hierarchy of precision, can be carefully tested; discrepancies between theory and experiment are due to many-body effects and are never masked by uncertainties in the constituent-interaction (needless to say, the very small hadronic contributions to atomic structure is left out. Many-body effects in atoms are solely produced by the electron-electron interaction which derives from the laws of Quantum Electrodynamics or, in a very good approximation from the repulsive Coulomb potential; in the general nomenclature they are named correlations. The material is organized in two chapters: chapter 1 deals with a general introduction and discussion of g-Hartree mean-field theories, chapter 2 deals with applications. The role of vacuum fluctuations and deformations of the Dirac sea in a consistent construction of mean-fields is emphasized and their explicit form in the g-Hartree theory is given. 21 references, 5 figures, 3 tables

Resonance effects in projectile-electron loss in relativistic collisions with excited atoms

International Nuclear Information System (INIS)

Voitkiv, A B

2005-01-01

The theory of electron loss from projectile-ions in relativistic ion-atom collisions is extended to the case of collisions with excited atoms. The main feature of such collisions is a resonance which can emerge between electron transitions in the ion and atom. The resonance becomes possible due to the Doppler effect and has a well-defined impact energy threshold. In the resonance case, the ion-atom interaction is transmitted by the radiation field and the range of this interaction becomes extremely long. Because of this the presence of other atoms in the target medium and the size of the space occupied by the medium have to be taken into account and it turns out that microscopic loss cross sections may be strongly dependent on such macroscopic parameters as the target density, temperature and size. We consider both the total and differential loss cross sections and show that the resonance can have a strong impact on the angular and energy distributions of electrons emitted from the projectiles and the total number of electron loss events

Relativistic effects in hydrogenlike atoms embedded in Debye plasmas

International Nuclear Information System (INIS)

Bielinska-Waz, D.; Karwowski, J.; Saha, B.; Mukherjee, P.K.

2004-01-01

Spectra of hydrogenlike atoms embedded in a Debye plasma are investigated. The state energies and the transition rates are studied using a fully relativistic formalism based on the Dirac equation. The effect of the plasma is described by introducing an exponential screening to the nuclear Coulomb potential (the Debye screening). Systematic trends with respect to both the nuclear charge and the screening parameter are observed for all calculated quantities. The pattern of splittings of ns 1/2 , np 1/2 and np 3/2 is modified in a specific way due to the combined relativity and plasma effect. The transition rates decrease with an increase of the Debye parameter as well as with an increase of Z

About effect of the Ramsauer-Townsend type at scattering of relativistic electrons by crystal atomic string

International Nuclear Information System (INIS)

Shul'ga, N.F.; Truten', V.I.

1999-01-01

It is shown that a considerable decrease in a total cross-section of the elastic scattering of relativistic electrons by a crystal atomic string can take place at certain values of particle incidence angles. This effect is similar to the Ramsauer-Townsend effect of slow electrons scattering by an atom. It is shown that the decrease in the angle of particles incidence on the atomic string essentially changes the process of particles scattering. The phenomena of the particle rainbow scattering and orbiting may occur in this case. 14 refs., 5 figs

Relativistic models of nuclear structure

International Nuclear Information System (INIS)

Gillet, V.; Kim, E.J.; Cauvin, M.; Kohmura, T.; Ohnaka, S.

1991-01-01

The introduction of the relativistic field formalism for the description of nuclear structure has improved our understanding of fundamental nuclear mechanisms such as saturation or many body forces. We discuss some of these progresses, both in the semi-classical mean field approximation and in a quantized meson field approach. (author)

Delocalization of Relativistic Dirac Particles in Disordered One-Dimensional Systems and Its Implementation with Cold Atoms

International Nuclear Information System (INIS)

Zhu Shiliang; Zhang Danwei; Wang, Z. D.

2009-01-01

We study theoretically the localization of relativistic particles in disordered one-dimensional chains. It is found that the relativistic particles tend to delocalization in comparison with the nonrelativistic particles with the same disorder strength. More intriguingly, we reveal that the massless Dirac particles are entirely delocalized for any energy due to the inherent chiral symmetry, leading to a well-known result that particles are always localized in one-dimensional systems for arbitrary weak disorders to break down. Furthermore, we propose a feasible scheme to detect the delocalization feature of the Dirac particles with cold atoms in a light-induced gauge field.

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.

Atoms in Flight: The Remarkable Connections between Atomic and Hadronic Physics

Energy Technology Data Exchange (ETDEWEB)

Brodsky, Stanley J.; /SLAC

2012-02-16

Atomic physics and hadron physics are both based on Yang Mills gauge theory; in fact, quantum electrodynamics can be regarded as the zero-color limit of quantum chromodynamics. I review a number of areas where the techniques of atomic physics provide important insight into the theory of hadrons in QCD. For example, the Dirac-Coulomb equation, which predicts the spectroscopy and structure of hydrogenic atoms, has an analog in hadron physics in the form of light-front relativistic equations of motion which give a remarkable first approximation to the spectroscopy, dynamics, and structure of light hadrons. The renormalization scale for the running coupling, which is unambiguously set in QED, leads to a method for setting the renormalization scale in QCD. The production of atoms in flight provides a method for computing the formation of hadrons at the amplitude level. Conversely, many techniques which have been developed for hadron physics, such as scaling laws, evolution equations, and light-front quantization have equal utility for atomic physics, especially in the relativistic domain. I also present a new perspective for understanding the contributions to the cosmological constant from QED and QCD.

Self-consistent, relativistic, ferromagnetic band structure of gadolinium

International Nuclear Information System (INIS)

Harmon, B.N.; Schirber, J.; Koelling, D.D.

1977-01-01

An initial self-consistent calculation of the ground state magnetic band structure of gadolinium is described. A linearized APW method was used which included all single particle relativistic effects except spin-orbit coupling. The spin polarized potential was obtained in the muffin-tin form using the local spin density approximation for exchange and correlation. The most striking and unorthodox aspect of the results is the position of the 4f spin-down ''bands'' which are required to float just on top of the Fermi level in order to obtain convergence. If the 4f states (l = 3 resonance) are removed from the occupied region of the conduction bands the magnetic moment is approximately .75 μ/sub B//atom; however, as the 4f spin-down states are allowed to find their own position they hybridize with the conduction bands at the Fermi level and the moment becomes smaller. Means of improving the calculation are discussed

Relativistic and non-relativistic electronic molecular-structure calculations for dimers of 4p-, 5p-, and 6p-block elements.

Science.gov (United States)

Höfener, Sebastian; Ahlrichs, Reinhart; Knecht, Stefan; Visscher, Lucas

2012-12-07

We report results of non-relativistic and two-component relativistic single-reference coupled-cluster with single and double and perturbative triple excitations [CCSD(T)] treatments for the 4p-block dimers Ga(2) to Br(2) , the 5p-block dimers In(2) to I(2) , and their atoms. Extended basis sets up to pentuple zeta are employed and energies extrapolated to the complete basis-set limit. Relativistic and non-relativistic results for the dissociation energy D(e) are in close agreement with each other and previously published data, provided non-relativistic or scalar-relativistic results are corrected for spin-orbit contributions taken from the literature. An exception is Te(2) where theoretical results scatter by 0.085 eV. By virtue of this agreement it is unexpected that comparison with the experimental D(0) or D(e) dissociation energies (zero-point vibrational effects are negligible in this context) reveal errors larger than 0.1 eV for Ga(2), Ge(2), and Sb(2). Only relativistic treatments are presented for the 6p-block cases Tl(2) to At(2). Sufficient agreement with experimental data is found only for Pb(2) and Bi(2), the deviation of the computed and experimental D(0) values for Po(2) is again larger than 0.1 eV. Deviations of 0.1 eV between the computed and experimental D(0) values are a major reason for concern and call for additional investigations in both fields to clarify the situation. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Pionic atoms, the relativistic mean-field theory and the pion-nucleon scattering lenghts

International Nuclear Information System (INIS)

Goudsmit, P.F.A.; Leisi, H.J.; Matsinos, E.

1991-01-01

Analysing pionic-atom data of isoscalar nuclei within the relativistic mean-field (RMF) theory, we determine the pseudoscalar πNN mixing parameter x=0.24±0.06 (syst.) and the strength of the nuclear scalar meson field for pions, S π =-34±14 (syst.) MeV. We show that these values are compatible with the elementary π-N interaction. Our RMF model provides a solution to the long-standing problem of the s-wave repulsion. (orig.)

Multiphoton ionization of many-electron atoms and highly-charged ions in intense laser fields: a relativistic time-dependent density functional theory approach

Science.gov (United States)

Tumakov, Dmitry A.; Telnov, Dmitry A.; Maltsev, Ilia A.; Plunien, Günter; Shabaev, Vladimir M.

2017-10-01

We develop an efficient numerical implementation of the relativistic time-dependent density functional theory (RTDDFT) to study multielectron highly-charged ions subject to intense linearly-polarized laser fields. The interaction with the electromagnetic field is described within the electric dipole approximation. The resulting time-dependent relativistic Kohn-Sham (RKS) equations possess an axial symmetry and are solved accurately and efficiently with the help of the time-dependent generalized pseudospectral method. As a case study, we calculate multiphoton ionization probabilities of the neutral argon atom and argon-like xenon ion. Relativistic effects are assessed by comparison of our present results with existing non-relativistic data.

New version: GRASP2K relativistic atomic structure package

Science.gov (United States)

Jönsson, P.; Gaigalas, G.; Bieroń, J.; Fischer, C. Froese; Grant, I. P.

2013-09-01

, 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.: 730252 No. of bytes in distributed program, including test data, etc.: 14808872 Distribution format: tar.gz Programming language: Fortran. Computer: Intel Xeon, 2.66 GHz. Operating system: Suse, Ubuntu, and Debian Linux 64-bit. RAM: 500 MB or more Classification: 2.1. Catalogue identifier of previous version: ADZL_v1_0 Journal reference of previous version: Comput. Phys. Comm. 177 (2007) 597 Does the new version supersede the previous version?: Yes Nature of problem: Prediction of atomic properties — atomic energy levels, oscillator strengths, radiative decay rates, hyperfine structure parameters, Landé gJ-factors, and specific mass shift parameters — using a multiconfiguration Dirac-Hartree-Fock approach. Solution method: The computational method is the same as in the previous GRASP2K [1] version except that for v3 codes the njgraf library module [2] for recoupling has been replaced by librang [3,4]. Reasons for new version: New angular libraries with improved performance are available. Also methodology for transforming from jj- to LSJ-coupling has been developed. Summary of revisions: New angular libraries where the coefficients of fractional parentage have been extended to j=9/2, making calculations feasible for the lanthanides and actinides. Inclusion of a new program jj2lsj, which reports the percentage composition of the wave function in LSJ. Transition programs have been modified to produce a file of transition data with one record for each transition in the same format as Atsp2K [C. Froese Fischer, G. Tachiev, G. Gaigalas and M.R. Godefroid, Comput. Phys. Commun. 176 (2007) 559], which identifies each atomic state by the total energy and a label for the CSF with the largest expansion coefficient in LSJ intermediate coupling. Updated to 64-bit architecture. A

Non-relativistic conformal symmetries and Newton-Cartan structures

International Nuclear Information System (INIS)

Duval, C; Horvathy, P A

2009-01-01

This paper provides us with a unifying classification of the conformal infinitesimal symmetries of non-relativistic Newton-Cartan spacetime. The Lie algebras of non-relativistic conformal transformations are introduced via the Galilei structure. They form a family of infinite-dimensional Lie algebras labeled by a rational 'dynamical exponent', z. The Schroedinger-Virasoro algebra of Henkel et al corresponds to z = 2. Viewed as projective Newton-Cartan symmetries, they yield, for timelike geodesics, the usual Schroedinger Lie algebra, for which z = 2. For lightlike geodesics, they yield, in turn, the Conformal Galilean Algebra (CGA) of Lukierski, Stichel and Zakrzewski (alias 'alt' of Henkel), with z = 1. Physical systems realizing these symmetries include, e.g. classical systems of massive and massless non-relativistic particles, and also hydrodynamics, as well as Galilean electromagnetism.

Semi-analytical wave functions in relativistic average atom model for high-temperature plasmas

International Nuclear Information System (INIS)

Guo Yonghui; Duan Yaoyong; Kuai Bin

2007-01-01

The semi-analytical method is utilized for solving a relativistic average atom model for high-temperature plasmas. Semi-analytical wave function and the corresponding energy eigenvalue, containing only a numerical factor, are obtained by fitting the potential function in the average atom into hydrogen-like one. The full equations for the model are enumerated, and more attentions are paid upon the detailed procedures including the numerical techniques and computer code design. When the temperature of plasmas is comparatively high, the semi-analytical results agree quite well with those obtained by using a full numerical method for the same model and with those calculated by just a little different physical models, and the result's accuracy and computation efficiency are worthy of note. The drawbacks for this model are also analyzed. (authors)

Scaling for deuteron structure functions in a relativistic light-front model

International Nuclear Information System (INIS)

Polyzou, W.N.; Gloeckle, W.

1996-01-01

Scaling limits of the structure functions [B.D. Keister, Phys. Rev. C 37, 1765 (1988)], W 1 and W 2 , are studied in a relativistic model of the two-nucleon system. The relativistic model is defined by a unitary representation, U(Λ,a), of the Poincaracute e group which acts on the Hilbert space of two spinless nucleons. The representation is in Dirac close-quote s [P.A.M. Dirac, Rev. Mod. Phys. 21, 392 (1949)] light-front formulation of relativistic quantum mechanics and is designed to give the experimental deuteron mass and n-p scattering length. A model hadronic current operator that is conserved and covariant with respect to this representation is used to define the structure tensor. This work is the first step in a relativistic extension of the results of Hueber, Gloeckle, and Boemelburg. The nonrelativistic limit of the model is shown to be consistent with the nonrelativistic model of Hueber, Gloeckle, and Boemelburg. [D. Hueber et al. Phys. Rev. C 42, 2342 (1990)]. The relativistic and nonrelativistic scaling limits, for both Bjorken and y scaling are compared. The interpretation of y scaling in the relativistic model is studied critically. The standard interpretation of y scaling requires a soft wave function which is not realized in this model. The scaling limits in both the relativistic and nonrelativistic case are related to probability distributions associated with the target deuteron. copyright 1996 The American Physical Society

Quantum gates via relativistic remote control

Energy Technology Data Exchange (ETDEWEB)

Martín-Martínez, Eduardo, E-mail: emartinm@uwaterloo.ca [Institute for Quantum Computing, University of Waterloo, Waterloo, Ontario, N2L 3G1 (Canada); Dept. Applied Math., University of Waterloo, Ontario, N2L 3G1 (Canada); Perimeter Institute for Theoretical Physics, Waterloo, Ontario N2L 2Y5 (Canada); Sutherland, Chris [Institute for Quantum Computing, University of Waterloo, Waterloo, Ontario, N2L 3G1 (Canada)

2014-12-12

We harness relativistic effects to gain quantum control on a stationary qubit in an optical cavity by controlling the non-inertial motion of a different probe atom. Furthermore, we show that by considering relativistic trajectories of the probe, we enhance the efficiency of the quantum control. We explore the possible use of these relativistic techniques to build 1-qubit quantum gates.

Radiative electron capture studied in relativistic heavy-ion atom collisions

International Nuclear Information System (INIS)

Stoehlker, T.; Kozhuharov, C.; Mokler, P.H.; Warczak, A.; Bosch, F.; Geissel, H.; Moshammer, R.; Scheidenberger, C.; Eichler, J.; Shirai, T.; Stachura, Z.; Rymuza, P.

1994-08-01

The process of Radiative Electron Capture (REC) in relativistic collisions of high-Z ions with low-Z gaseous and solid targets is studied experimentally and theoretically. The observed X-ray spectra are analysed with respect to photon angular distributions as well as to total K-REC cross sections. The experimental results for angle-differential cross sections are well-reproduced by exact relativistic calculations which yield significant deviations from standard sin 2 θ distributions. Total cross sections for K-REC are shown to follow a simple scaling rule obtained from exact relativistic calculations as well as from a non-relativistic dipole approximation. The agreement between these different theoretical approaches must be regarded as fortuitous, but it lends support to the use of the non-relativistic approach for practical purposes. (orig.)

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.

Ab initio random structure search for 13-atom clusters of fcc elements

International Nuclear Information System (INIS)

Chou, J P; Hsing, C R; Wei, C M; Cheng, C; Chang, C M

2013-01-01

The 13-atom metal clusters of fcc elements (Al, Rh, Ir, Ni, Pd, Pt, Cu, Ag, Au) were studied by density functional theory calculations. The global minima were searched for by the ab initio random structure searching method. In addition to some new lowest-energy structures for Pd 13 and Au 13 , we found that the effective coordination numbers of the lowest-energy clusters would increase with the ratio of the dimer-to-bulk bond length. This correlation, together with the electronic structures of the lowest-energy clusters, divides the 13-atom clusters of these fcc elements into two groups (except for Au 13 , which prefers a two-dimensional structure due to the relativistic effect). Compact-like clusters that are composed exclusively of triangular motifs are preferred for elements without d-electrons (Al) or with (nearly) filled d-band electrons (Ni, Pd, Cu, Ag). Non-compact clusters composed mainly of square motifs connected by some triangular motifs (Rh, Ir, Pt) are favored for elements with unfilled d-band electrons. (paper)

Photoelectric effect in the relativistic domain revealed by the time-reversed process for highly charged uranium ions

International Nuclear Information System (INIS)

Stoehlker, T.; Mokler, P.H.; Kozhuharov, C.; Warczak, A.

1996-10-01

The photoelectric effect in the near relativistic energy regime of 80 to 350 keV is studied by the time-reversed process in ion-atom collisions, i.e. by the radiative capture of a quasi-free target electron. We review shell and subshell differential photon-angular distribution studies of radiative capture into highly-charged uranium ions. The experimental data are compared with exact relativistic calculations and give detailed insight into both the atomic structure of high-Z few-electron ions and into the fundamental electron-photon interaction process involved. In particular it is shown that the angular-differential measurements provide a unique method to study the magnetic interaction in relativistic electron-photon encoun- (orig.)

The geopotential value W 0 for specifying the relativistic atomic time scale and a global vertical reference system

Czech Academy of Sciences Publication Activity Database

Burša, Milan; Kenyon, S.; Kouba, J.; Šíma, Zdislav; Vatrt, V.; Vítek, V.; Vojtíšková, M.

2007-01-01

Roč. 81, č. 2 (2007), s. 103-110 ISSN 0949-7714 R&D Projects: GA ČR GA205/05/2381 Institutional research plan: CEZ:AV0Z10030501 Keywords : geopotential * vertical datum unification * relativistic atomic time scale Subject RIV: BN - Astronomy, Celestial Mechanics, Astrophysics Impact factor: 1.636, year: 2007

Atomic x-ray production by relativistic heavy ions

International Nuclear Information System (INIS)

Ioannou, J.G.

1977-12-01

The interaction of heavy ion projectiles with the electrons of target atoms gives rise to the production, in the target, of K-, L- or higher shell vacancies which are in turn followed by the emission of characteristic x-rays. The calculation of the theoretical value of the K- and L-shells vacancy production cross section was carried out for heavy ion projectiles of any energy. The transverse component of the cross section is calculated for the first time in detail and extensive tables of its numerical value as a function of its parameters are also given. Experimental work for 4.88 GeV protons and 3 GeV carbon ions is described. The K vacancy cross section has been measured for a variety of targets from Ti to U. The agreement between the theoretical predictions and experimental results for the 4.88 GeV protons is rather satisfactory. For the 3 GeV carbon ions, however, it is observed that the deviation of the theoretical and experimental values of the K vacancy production becomes larger with the heavier target element. Consequently, the simple scaling law of Z 1 2 for the cross section of the heavy ion with atomic number Z 1 to the proton cross section is not true, for the K-shell at least. A dependence on the atomic number Z 2 of the target of the form (Z 1 - αZ 2 ) 2 , instead of Z 1 2 , is found to give extremely good agreement between theory and experiment. Although the exact physical meaning of such dependence is not yet clearly understood, it is believed to be indicative of some sort of screening effect of the incoming fast projectile by the fast moving in Bohr orbits K-shell electrons of the target. The enhancement of the K-shell ionization cross section by relativistic heavy ions on heavy targets is also discussed in terms of its practical applications in various branches of science and technology

Calculations of relativistic effects in atoms and molecules from the Schroedinger wave function

International Nuclear Information System (INIS)

Detrich, J.H.; Roothaan, C.C.J.

1981-01-01

The traditional method for dealing with relativistic effects in atoms and molecules consists of a somewhat heuristic combination of quantum electrodynamics and a many-electron quantum mechanics generalized from the one-electron Dirac theory. On the whole, results calculated from this theory agree with experimental data. Nevertheless, the theory is by no means entirely satisfactory; in its development, certain ambiguities and divergencies must be resolved by somewhat arbitrary and/or questionable means. This paper illuminates - and sidesteps - some of the more questionable aspects of the traditional method, by reformulating electromagnetic interactions between particles in a different way

Relativistic atomic matrix elements of rq for arbitrary states in the quantum-defect approximation

International Nuclear Information System (INIS)

Owono Owono, L.C.; Owona Angue, M.L.C.; Kwato Njock, M.G.; Oumarou, B.

2004-01-01

Recurrence relations used in the calculation of matrix elements of r q for arbitrary q and states of the relativistic one-electron atom with a point-like ionic core are obtained with Dirac and quasirelativistic effective radial Hamiltonians. The phenomenological and supersymmetry-inspired quantum-defect approaches introduced in previous works to model the electron-core interactions are employed. The formulas worked out on the basis of a hypervirial inspired method may be viewed as a generalization to off-diagonal cases of our recently reported results on the evaluation of expectation values of r q

Computationally efficient analytic representations of relativistic bound-bound, bound-unbound and unbound-unbound transition matrix elements of hydrogenic atoms

International Nuclear Information System (INIS)

Soldatov, A.; Seke, J.; Adam, G.; Polak, M.

2008-01-01

Full text: A closed analytic form for relativistic transition matrix elements between bound-bound, bound-unbound and unbound-unbound relativistic eigenstates of hydrogenic atoms by using the plane-wave expansion for the electromagnetic-field vector potential was derived in a form convenient for large-scale numerical calculations in QED. By applying the obtained formulae, these transition matrix elements can be evaluated analytically and numerically. These exact matrix elements, which to our knowledge have not been calculated as yet, are of great importance in the analysis of various atom-field interaction processes where retardation effects cannot be ignored. The ultimate goal of the ongoing research is to develop a general universal calculation technique for Seke's approximation and renormalization method in QED, for which the usage of the plane vector expansion for the vector potential is a preferable choice. However, our primary interest lies in the Lamb-shift calculation. Our nearest objective is to carry out the plain-style relativistic calculations of the Lamb shift of the energy levels of hydrogen-like atoms and ions from first principles in the second and higher perturbative orders, using the corresponding convenient as well as novel expressions for the magnitude in question as they stand, i.e. without any additional approximations. Due to that there is no way to achieve all the above-declared goals without recourse to large-scale laborious and time-consuming high-precision numerical calculations, having the transition matrix elements of all possible types in an analytic, convenient for their efficient numerical evaluation form, would be highly advantageous and even unavoidable, especially for calculations of various QED effects in higher perturbative orders be it, equally, in traditional or novel approach. (author)

Theoretical study of relativistic effects in the electronic structure and chemical bonding of UF6

International Nuclear Information System (INIS)

Onoe, Jun; Takeuchi, Kazuo; Sekine, Rika; Nakamatsu, Hirohide; Mukoyama, Takeshi; Adachi, Hirohiko.

1992-01-01

We have performed the relativistic molecular orbital calculation for the ground state of UF 6 , using the discrete-variational Dirac-Slater method (DV-DS), in order to elucidate the relativistic effects in the electronic structure and chemical bonding. Compared with the electronic structure calculated by the non-relativistic Hartree-Fock-Slater (DV-X α )MO method, not only the direct relativistic effects (spin-orbit splitting etc), but also the indirect effect due to the change in screening core potential charge are shown to be important in the MO level structure. From the U-F bond overlap population analysis, we found that the U-F bond formation can be explained only by the DV-DS, not by the DV-X α . The calculated electronic structure in valence energy region (-20-OeV) and excitation energies in UV region are in agreement with experiments. (author)

Spinor and isospinor structure of relativistic particle propagators

International Nuclear Information System (INIS)

Gitman, D.M.; Shvartsman, Sh.M.

1993-07-01

Representations by means of path integrals are used to find spinor and isospinor structure of relativistic particle propagators in external fields. For Dirac propagator in an external electromagnetic field all Grassmannian integrations are performed and a general result is presented via a bosonic path integral. The spinor structure of the integrand is given explicitly by its decomposition in the independent γ-matrix structures. A similar technique is used to get the isospinor structure of the scalar particle propagator in an external non-Abelian field. (author). 21 refs

Relativistic Many-Body Theory A New Field-Theoretical Approach

CERN Document Server

Lindgren, Ingvar

2011-01-01

Relativistic Many-Body Theory treats — for the first time — the combination of relativistic atomic many-body theory with quantum-electrodynamics (QED) in a unified manner. This book can be regarded as a continuation of the book by Lindgren and Morrison, Atomic Many-Body Theory (Springer 1986), which deals with the non-relativistic theory of many-electron systems, describing several means of treating the electron correlation to essentially all orders of perturbation theory. The treatment of the present book is based upon quantum-field theory, and demonstrates that when the procedure is carried to all orders of perturbation theory, two-particle systems are fully compatible with the relativistically covariant Bethe-Salpeter equation. This procedure can be applied to arbitrary open-shell systems, in analogy with the standard many-body theory, and it is also applicable to systems with more than two particles. Presently existing theoretical procedures for treating atomic systems are, in several cases, insuffici...

'Atomic Bremsstrahlung': Retrospectives, current status and perspectives

International Nuclear Information System (INIS)

Amusia, M.Ya.

2006-01-01

We describe here the 'Atomic bremsstrahlung' (AB)-emission of continuous spectrum electromagnetic radiation, which is generated in collisions of particles that have internal deformable structure that includes positively and negatively charged constituents. The deformation of one or both colliding partners induces multiple, mainly dipole, time-dependent electrical moments that become a source of radiation. The history of AB invention is presented and its unusual in comparison to ordinary bremsstrahlung (OB) properties, are discussed. As examples, fast electron atom, non-relativistic and relativistic collisions are considered. Attention is given to ion-atom and atom-atom collisions. Specifics of 'elastic' and 'inelastic' (i.e. radiation accompanied by destruction of collision partners) AB will be mentioned. Attention will be given to possible manifestation of AB in nature and in some exotic systems, for instance scattering of electrons upon muonic hydrogen. Some cooperative effects connected to AB will be considered. New classical schemes similar to AB will be presented

Quasiparticle method in relativistic mean-field theories of nuclear structure

International Nuclear Information System (INIS)

Ai, H.

1988-01-01

In recent years, in order to understand the success of Dirac phenomenology, relativistic Brueckner-Hartree-Fock (RBHF) theory has been developed. This theory is a relativistic many-body theory of nuclear structure. Based upon the RBHF theory, which is characterized as having no free parameters other than those introduced in fitting free-space nucleon-nucleon scattering data, we construct an effective interaction. This interaction, when treated in a relativistic Hartree-Fock approximation, reproduces, rather accurately, the nucleon self-energy in nuclear matter, Migdal parameters obtained via relativistic Brueckner-Hartree-Fock calculations, and the saturation curves calculated with the full relativistic Brueckner-Hartree-Fock theory. This effective interaction is constructed by adding a number of pseudoparticles to the mesons used to construct one-boson-exchange (OBE) models of the nuclear force. The pseudoparticles have relatively large masses and either real or imaginary coupling constants. (For example, exchange of a pseudo-sigma with an imaginary coupling constant has the effect of reducing the scalar attraction arising from sigma exchange, while exchange of a pseudo-omega with an imaginary coupling constant has the effect of reducing the repulsion arising from omega exchange. The terms beyond the Born term in the case of pion exchange are well simulated by pseudo-sigma exchange with a real coupling constant.) The effective interaction constructed here may be used for calculations of the properties of finite nuclei in a relativistic Hartree-Fock approximation

Coupling of (ultra- relativistic atomic nuclei with photons

Directory of Open Access Journals (Sweden)

M. Apostol

2013-11-01

Full Text Available The coupling of photons with (ultra- relativistic atomic nuclei is presented in two particular circumstances: very high electromagnetic fields and very short photon pulses. We consider a typical situation where the (bare nuclei (fully stripped of electrons are accelerated to energies ≃ 1 TeV per nucleon (according to the state of the art at LHC, for instance and photon sources like petawatt lasers ≃ 1 eV-radiation (envisaged by ELI-NP project, for instance, or free-electron laser ≃ 10 keV-radiation, or synchrotron sources, etc. In these circumstances the nuclear scale energy can be attained, with very high field intensities. In particular, we analyze the nuclear transitions induced by the radiation, including both one- and two-photon proceses, as well as the polarization-driven transitions which may lead to giant dipole resonances. The nuclear (electrical polarization concept is introduced. It is shown that the perturbation theory for photo-nuclear reactions is applicable, although the field intensity is high, since the corresponding interaction energy is low and the interaction time (pulse duration is short. It is also shown that the description of the giant nuclear dipole resonance requires the dynamics of the nuclear electrical polarization degrees of freedom.

Surface modelling on heavy atom crystalline compounds: HfO2 and UO2 fluorite structures

International Nuclear Information System (INIS)

Evarestov, Robert; Bandura, Andrei; Blokhin, Eugeny

2009-01-01

The study of the bulk and surface properties of cubic (fluorite structure) HfO 2 and UO 2 was performed using the hybrid Hartree-Fock density functional theory linear combination of atomic orbitals simulations via the CRYSTAL06 computer code. The Stuttgart small-core pseudopotentials and corresponding basis sets were used for the core-valence interactions. The influence of relativistic effects on the structure and properties of the systems was studied. It was found that surface properties of Mott-Hubbard dielectric UO 2 differ from those found for other metal oxides with the closed-shell configuration of d-electrons

The cosmic-ray shock structure problem for relativistic shocks

Science.gov (United States)

Webb, G. M.

1985-01-01

The time asymptotic behaviour of a relativistic (parallel) shock wave significantly modified by the diffusive acceleration of cosmic-rays is investigated by means of relativistic hydrodynamical equations for both the cosmic-rays and thermal gas. The form of the shock structure equation and the dispersion relation for both long and short wavelength waves in the system are obtained. The dependence of the shock acceleration efficiency on the upstream fluid spped, long wavelength Mach number and the ratio N = P sub co/cP sub co+P sub go)(Psub co and P sub go are the upstream cosmic-ray and thermal gas pressures respectively) are studied.

On the resonant coherent excitation of relativistic heavy ions

International Nuclear Information System (INIS)

Pivovarov, Y.L.; Geissel, H.; Filimonov, Yu.M.; Krivosheev, O.E.; Scheidenberger, C.

1995-07-01

New accelerator facilities open up an interesting new field of experiments on basic channeling as well as on atomic and nuclear resonant coherent exitation (RCE) of heavy ions penetrating through aligned crystals at relativistic energies. Results of computer simulations are presented to characterize the resonant coherent excitation of atomic levels of relativistic hydrogen-like heavy ions. Nuclear resonant coherent excitation reveals interesting different characteristics compared to the corresponding atomic excitation inside crystals. An important result of our model calculations is that poorly-channeled ions have a higher nuclear excitation probability than well-channeled ions. (orig.)

Theoretical study of the relativistic molecular rotational g-tensor

International Nuclear Information System (INIS)

Aucar, I. Agustín; Gomez, Sergio S.; Giribet, Claudia G.; Ruiz de Azúa, Martín C.

2014-01-01

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 + (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 + systems. Only for the sixth-row Rn atom a significant deviation of this relation is found

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.

Synchrotron radiation in atomic physics

International Nuclear Information System (INIS)

Crasemann, B.

1998-01-01

Much of present understanding of atomic and molecular structure and dynamics was gained through studies of photon-atom interactions. In particular, observations of the emission, absorption, and scattering of X rays have complemented particle-collision experiments in elucidating the physics of atomic inner shells. Grounded on Max von Laue's theoretical insight and the invention of the Bragg spectrometer, the field's potential underwent a step function with the development of synchrotron-radiation sources. Notably current third-generation sources have opened new horizons in atomic and molecular physics by producing radiation of wide tunability and exceedingly high intensity and polarization, narrow energy bandwidth, and sharp time structure. In this review, recent advances in synchrotron-radiation studies in atomic and molecular science are outlined. Some tempting opportunities are surveyed that arise for future studies of atomic processes, including many-body effects, aspects of fundamental photon-atom interactions, and relativistic and quantum-electrodynamic phenomena. (author)

Penetration of relativistic heavy ions through matter

International Nuclear Information System (INIS)

Scheidenberger, C.; Geissel, H.

1997-07-01

New heavy-ion accelerators covering the relativistic and ultra-relativistic energy regime allow to study atomic collisions with bare and few-electron projectiles. High-resolution magnetic spectrometers are used for precise stopping-power and energy-loss straggling measurements. Refined theories beyond the Born approximation have been developed and are confirmed by experiments. This paper summarizes the large progress in the understanding of relativistic heavy-ion penetration through matter, which has been achieved in the last few years. (orig.)

Relativistic decay widths of autoionization processes: The relativistic FanoADC-Stieltjes method

Energy Technology Data Exchange (ETDEWEB)

Fasshauer, Elke, E-mail: Elke.Fasshauer@uit.no [Centre for Theoretical and Computational Chemistry, Department of Chemistry, University of Tromsø–The Arctic University of Norway, N-9037 Tromsø (Norway); Theoretische Chemie, Universität Heidelberg, Im Neuenheimer Feld 229, D-69120 Heidelberg (Germany); Kolorenč, Přemysl [Institute of Theoretical Physics, Faculty of Mathematics and Physics, Charles University in Prague, V Holešovičkách 2, 180 00 Prague (Czech Republic); Pernpointner, Markus [Theoretische Chemie, Universität Heidelberg, Im Neuenheimer Feld 229, D-69120 Heidelberg (Germany)

2015-04-14

Electronic decay processes of ionized systems are, for example, the Auger decay or the Interatomic/ Intermolecular Coulombic Decay. In both processes, an energetically low lying vacancy is filled by an electron of an energetically higher lying orbital and a secondary electron is instantaneously emitted to the continuum. Whether or not such a process occurs depends both on the energetic accessibility and the corresponding lifetime compared to the lifetime of competing decay mechanisms. We present a realization of the non-relativistically established FanoADC-Stieltjes method for the description of autoionization decay widths including relativistic effects. This procedure, being based on the Algebraic Diagrammatic Construction (ADC), was adapted to the relativistic framework and implemented into the relativistic quantum chemistry program package Dirac. It is, in contrast to other existing relativistic atomic codes, not limited to the description of autoionization lifetimes in spherically symmetric systems, but is instead also applicable to molecules and clusters. We employ this method to the Auger processes following the Kr3d{sup −1}, Xe4d{sup −1}, and Rn5d{sup −1} ionization. Based on the results, we show a pronounced influence of mainly scalar-relativistic effects on the decay widths of autoionization processes.

Relativistic effects in photoionization time delay near the Cooper minimum of noble-gas atoms

Science.gov (United States)

Saha, Soumyajit; Mandal, Ankur; Jose, Jobin; Varma, Hari R.; Deshmukh, P. C.; Kheifets, A. S.; Dolmatov, V. K.; Manson, S. T.

2014-11-01

Time delay of photoemission from valence n s , n p3 /2 , and n p1 /2 subshells of noble-gas atoms is theoretically scrutinized within the framework of the dipole relativistic random phase approximation. The focus is on the variation of time delay in the vicinity of the Cooper minima in photoionization of the outer subshells of neon, argon, krypton, and xenon, where the corresponding dipole matrix element changes its sign while passing through a node. It is revealed that the presence of the Cooper minimum in one photoionization channel has a strong effect on time delay in other channels. This is shown to be due to interchannel coupling.

Efficiencies for production of atomic nitrogen and oxygen by relativistic proton impact in air

Science.gov (United States)

Porter, H. S.; Jackman, C. H.; Green, A. E. S.

1976-01-01

Relativistic electron and proton impact cross sections are obtained and represented by analytic forms which span the energy range from threshold to 1 GeV. For ionization processes, the Massey-Mohr continuum generalized oscillator strength surface is parameterized. Parameters are determined by simultaneous fitting to (1) empirical data, (2) the Bethe sum rule, and (3) doubly differential cross sections for ionization. Branching ratios for dissociation and predissociation from important states of N2 and O2 are determined. The efficiency for the production of atomic nitrogen and oxygen by protons with kinetic energy less than 1 GeV is determined using these branching ratio and cross section assignments.

Atomic inner-shell physics

International Nuclear Information System (INIS)

Crasemann, B.

1985-01-01

This book discusses: relativistic and quantum electrodynamic effects on atomic inner shells; relativistic calculation of atomic transition probabilities; many-body effects in energetic atomic transitions; Auger Electron spectrometry of core levels of atoms; experimental evaluation of inner-vacancy level energies for comparison with theory; mechanisms for energy shifts of atomic K-X rays; atomic physics research with synchrotron radiation; investigations of inner-shell states by the electron energy-loss technique at high resolution; coherence effects in electron emission by atoms; inelastic X-ray scattering including resonance phenomena; Rayleigh scattering: elastic photon scattering by bound electrons; electron-atom bremsstrahlung; X-ray and bremsstrahlung production in nuclear reactions; positron production in heavy-ion collisions, and X-ray processes in heavy-ion collisions

Relativistic calculations of one-photon bound-free transition amplitudes in hydrogenic atoms

International Nuclear Information System (INIS)

Simo, E.; Kwato Njock, M.G.

2005-04-01

Photoionization transition matrix of hydrogenic systems are investigated theoretically within the framework of the tensorial formalism with relativistic arguments. Calculations are carried out exactly, without approximation. We derive continuum second-order Dirac-Coulomb Sturmian functions. The numerical simulation of our results is performed in the dipole approximation. We test our theory on selected nucleus from the Periodic Table. The results of the fully relativistic calculations are compared with those of the quasi-relativistic calculations. A conclusion is drawn about the level of reliability of the quite simplified quasi-relativistic approach. (author)

'Atomic Bremsstrahlung': Retrospectives, current status and perspectives

Energy Technology Data Exchange (ETDEWEB)

Amusia, M.Ya. [Racah Institute of Physics, Hebrew University, Jerusalem 91904 (Israel) and Ioffe Physical-Technical Institute, St. Petersburg 194021 (Russian Federation)]. E-mail: Amusia@vms.huji.ac.il

2006-10-15

We describe here the 'Atomic bremsstrahlung' (AB)-emission of continuous spectrum electromagnetic radiation, which is generated in collisions of particles that have internal deformable structure that includes positively and negatively charged constituents. The deformation of one or both colliding partners induces multiple, mainly dipole, time-dependent electrical moments that become a source of radiation. The history of AB invention is presented and its unusual in comparison to ordinary bremsstrahlung (OB) properties, are discussed. As examples, fast electron atom, non-relativistic and relativistic collisions are considered. Attention is given to ion-atom and atom-atom collisions. Specifics of 'elastic' and 'inelastic' (i.e. radiation accompanied by destruction of collision partners) AB will be mentioned. Attention will be given to possible manifestation of AB in nature and in some exotic systems, for instance scattering of electrons upon muonic hydrogen. Some cooperative effects connected to AB will be considered. New classical schemes similar to AB will be presented.

Radiative electron capture studied in relativistic heavy-ion--atom collisions

International Nuclear Information System (INIS)

Stoehlker, T.; Kozhuharov, C.; Mokler, P.H.; Warczak, A.; Bosch, F.; Geissel, H.; Moshammer, R.; Scheidenberger, C.; Eichler, J.; Ichihara, A.; Shirai, T.; Stachura, Z.; Rymuza, P.

1995-01-01

The process of radiative electron capture (REC) in relativistic collisions of high-Z ions with low-Z gaseous and solid targets is studied experimentally and theoretically. The observed x-ray spectra are analyzed with respect to photon angular distributions as well as to total K-REC cross sections. The experimental results for angle-differential cross sections are well reproduced by exact relativistic calculations which yield significant deviations from standard sin 2 θ distributions. Total cross sections for K-REC are shown to follow a simple scaling rule obtained from exact relativistic calculations as well as from a nonrelativistic dipole approximation. The agreement between these different theoretical approaches must be regarded as fortuitous, but it lends support to the use of the nonrelativistic approach for practical purposes

The common elements of atomic and hadronic physics

Energy Technology Data Exchange (ETDEWEB)

Brodsky, Stanley J., E-mail: sjbth@slac.stanford.edu [Stanford University, SLAC National Accelerator Laboratory (United States)

2015-08-15

Atomic physics and hadronic physics are both governed by the Yang Mills gauge theory Lagrangian; in fact, Abelian quantum electrodynamics can be regarded as the zero-color limit of quantum chromodynamics. I review a number of areas where the techniques of atomic physics can provide important insight into hadronic eigenstates in QCD. For example, the Dirac-Coulomb equation, which predicts the spectroscopy and structure of hydrogenic atoms, has an analog in hadron physics in the form of frame-independent light-front relativistic equations of motion consistent with light-front holography which give a remarkable first approximation to the spectroscopy, dynamics, and structure of light hadrons. The production of antihydrogen in flight can provide important insight into the dynamics of hadron production in QCD at the amplitude level. The renormalization scale for the running coupling is unambiguously set in QED; an analogous procedure sets the renormalization scales in QCD, leading to scheme-independent scale-fixed predictions. Conversely, many techniques which have been developed for hadron physics, such as scaling laws, evolution equations, the quark-interchange process and light-front quantization have important applicants for atomic physics and photon science, especially in the relativistic domain.

The Common Elements of Atomic and Hadronic Physics

Energy Technology Data Exchange (ETDEWEB)

Brodsky, Stanley J. [SLAC National Accelerator Lab., Menlo Park, CA (United States)

2015-02-26

Atomic physics and hadronic physics are both governed by the Yang Mills gauge theory Lagrangian; in fact, Abelian quantum electrodynamics can be regarded as the zero-color limit of quantum chromodynamics. I review a number of areas where the techniques of atomic physics can provide important insight into hadronic eigenstates in QCD. For example, the Dirac-Coulomb equation, which predicts the spectroscopy and structure of hydrogenic atoms, has an analog in hadron physics in the form of frame-independent light-front relativistic equations of motion consistent with light-front holography which give a remarkable first approximation to the spectroscopy, dynamics, and structure of light hadrons. The production of antihydrogen in flight can provide important insight into the dynamics of hadron production in QCD at the amplitude level. The renormalization scale for the running coupling is unambiguously set in QED; an analogous procedure sets the renormalization scales in QCD, leading to scheme-independent scale-fixed predictions. Conversely, many techniques which have been developed for hadron physics, such as scaling laws, evolution equations, the quark-interchange process and light-front quantization have important applicants for atomic physics and photon science, especially in the relativistic domain.

Recent development of relativistic molecular theory

International Nuclear Information System (INIS)

Takahito, Nakajima; Kimihiko, Hirao

2005-01-01

Today it is common knowledge that relativistic effects are important in the heavy-element chemistry. The continuing development of the relativistic molecular theory is opening up rows of the periodic table that are impossible to treat with the non-relativistic approach. The most straightforward way to treat relativistic effects on heavy-element systems is to use the four-component Dirac-Hartree-Fock approach and its electron-correlation methods based on the Dirac-Coulomb(-Breit) Hamiltonian. The Dirac-Hartree-Fock (DHF) or Dirac-Kohn-Sham (DKS) equation with the four-component spinors composed of the large- and small-components demands severe computational efforts to solve, and its applications to molecules including heavy elements have been limited to small- to medium-size systems. Recently, we have developed a very efficient algorithm for the four-component DHF and DKS approaches. As an alternative approach, several quasi-relativistic approximations have also been proposed instead of explicitly solving the four-component relativistic equation. We have developed the relativistic elimination of small components (RESC) and higher-order Douglas-Kroll (DK) Hamiltonians within the framework of the two-component quasi-relativistic approach. The developing four-component relativistic and approximate quasi-relativistic methods have been implemented into a program suite named REL4D. In this article, we will introduce the efficient relativistic molecular theories to treat heavy-atomic molecular systems accurately via the four-component relativistic and the two-component quasi-relativistic approaches. We will also show several chemical applications including heavy-element systems with our relativistic molecular approaches. (author)

Studies of Ionic Photoionization Using Relativistic Random Phase Approximation and Relativistic Multichannel Quantum Defect Theory

Science.gov (United States)

Haque, Ghousia Nasreen

The absorption of electromagnetic radiation by positive ions is one of the fundamental processes of nature which occurs in every intensely hot environment. Due to the difficulties in producing sufficient densities of ions in a laboratory, there are very few measurements of ionic photoabsorption parameters. On the theoretical side, some calculations have been made of a few major photoionization parameters, but generally speaking, most of the work done so far has employed rather simple single particle models and any theoretical work which has adequately taken into account intricate atomic many-body and relativistic effects is only scanty. In the present work, several complex aspects of atomic/ionic photoabsorption parameters have been studied. Non -resonant photoionization in neon and argon isonuclear as well as isoelectronic sequences has been studied using a very sophisticated technique, namely the relativistic random phase approximation (RRPA). This technique takes into account relativistic effects as well as an important class of major many-body effects on the same footing. The present calculations confirmed that gross features of photoionization parameters calculated using simpler models were not an artifact of the simple model. Also, the present RRPA calculations on K^+ ion and neutral Ar brought out the relative importance of various many-body effects such the inter-channel coupling. Inter-channel coupling between discrete bound state photoexcitation channels from an inner atomic/ionic level and photoionization continuum channels from an outer atomic/ionic level leads to the phenomena of autoionization resonances in the photoionization process. These resonances lead to very complex effects in the atomic/ionic photoabsorption spectra. These resonances have been calculated and studied in the present work in the neon and magnesium isoelectronic sequences using the relativistic multi-channel quantum defect theory (RMQDT) within the framework of the RRPA. The

Local density approximations for relativistic exchange energies

International Nuclear Information System (INIS)

MacDonald, A.H.

1986-01-01

The use of local density approximations to approximate exchange interactions in relativistic electron systems is reviewed. Particular attention is paid to the physical content of these exchange energies by discussing results for the uniform relativistic electron gas from a new point of view. Work on applying these local density approximations in atoms and solids is reviewed and it is concluded that good accuracy is usually possible provided self-interaction corrections are applied. The local density approximations necessary for spin-polarized relativistic systems are discussed and some new results are presented

Relativistic calculation of dielectronic recombination for He-like krypton

Institute of Scientific and Technical Information of China (English)

Shi Xi-Heng; Wang Yan-Sen; Chen Chong-Yang; Gu Ming-Feng

2005-01-01

Dielectronic recombination (DR) cross sections and rate coefficients of He-like Kr are calculated employing the relativistic flexible atomic code, in which autoionization rates are calculated based on the relativistic distorted-wave approximation and the configuration interaction is considered. The Auger and total radiative rates of some strong resonances are listed and compared with the results from multiconfiguration Dirac-Fock and Hebrew University Lawrence Livermore Atomic Code methods. The n-3 scaling law is checked and used to extrapolate rate coefficients. We also show the variation of DR branching ratio with different DR resonances or atomic number Z. The effect of radiative cascades on DR cross sections are studied.

Nuclear and atomic physics governing changes in the composition of relativistic cosmic rays

International Nuclear Information System (INIS)

Wilson, L.W.

1978-05-01

Many quantitative studies of relativistic cosmic ray propagation exist in which ''standard'' values for the input quantities are adopted in an uncritical manner. In contrast, the major emphasis of this study is on developing the proper set of formulae and error estimates for each of the atomic and nuclear processes that govern the composition of the cosmic rays between lithium and nickel. In particular, it is shown that errors of approximately a factor of two exist in the standard (Bohr) cross sections for stripping, that the correction function from high energy photoionization needs to be introduced into the standard cross section for radiative attachment, and that because the half-life of a fast nucleus with at most one K-shell electron can differ from the half-life of a neutral atom, several laboratory-based values need correction. The framework used to assemble and correct these quantities is a matrix formalism for the leaky box model similar to that used by Cowsik and Wilson in their ''nested leaky box'' model. It is shown that once the assumption of species-independent leakage is introduced, the matrix formalism becomes virtually identical with the standard exponential path length formalism. 87 references

Surface modelling on heavy atom crystalline compounds: HfO{sub 2} and UO{sub 2} fluorite structures

Energy Technology Data Exchange (ETDEWEB)

Evarestov, Robert [Department of Quantum Chemistry, St. Petersburg State University, 26 Universitetsky Prospect, Peterhof, St. Petersburg 198504 (Russian Federation)], E-mail: re1973@re1973.spb.edu; Bandura, Andrei; Blokhin, Eugeny [Department of Quantum Chemistry, St. Petersburg State University, 26 Universitetsky Prospect, Peterhof, St. Petersburg 198504 (Russian Federation)

2009-01-15

The study of the bulk and surface properties of cubic (fluorite structure) HfO{sub 2} and UO{sub 2} was performed using the hybrid Hartree-Fock density functional theory linear combination of atomic orbitals simulations via the CRYSTAL06 computer code. The Stuttgart small-core pseudopotentials and corresponding basis sets were used for the core-valence interactions. The influence of relativistic effects on the structure and properties of the systems was studied. It was found that surface properties of Mott-Hubbard dielectric UO{sub 2} differ from those found for other metal oxides with the closed-shell configuration of d-electrons.

OPE convergence in non-relativistic conformal field theories

Energy Technology Data Exchange (ETDEWEB)

Goldberger, Walter D.; Khandker, Zuhair University; Prabhu, Siddharth [Department of Physics, Yale University,New Haven, CT 06511 (United States); Physics Department, Boston University,Boston, MA 02215 (United States)

2015-12-09

Motivated by applications to the study of ultracold atomic gases near the unitarity limit, we investigate the structure of the operator product expansion (OPE) in non-relativistic conformal field theories (NRCFTs). The main tool used in our analysis is the representation theory of charged (i.e. non-zero particle number) operators in the NRCFT, in particular the mapping between operators and states in a non-relativistic “radial quantization” Hilbert space. Our results include: a determination of the OPE coefficients of descendant operators in terms of those of the underlying primary state, a demonstration of convergence of the (imaginary time) OPE in certain kinematic limits, and an estimate of the decay rate of the OPE tail inside matrix elements which, as in relativistic CFTs, depends exponentially on operator dimensions. To illustrate our results we consider several examples, including a strongly interacting field theory of bosons tuned to the unitarity limit, as well as a class of holographic models. Given the similarity with known statements about the OPE in SO(2,d) invariant field theories, our results suggest the existence of a bootstrap approach to constraining NRCFTs, with applications to bound state spectra and interactions. We briefly comment on a possible implementation of this non-relativistic conformal bootstrap program.

Dielectric laser acceleration of non-relativistic electrons at a photonic structure

Energy Technology Data Exchange (ETDEWEB)

Breuer, John

2013-08-29

This thesis reports on the observation of dielectric laser acceleration of non-relativistic electrons via the inverse Smith-Purcell effect in the optical regime. Evanescent modes in the vicinity of a periodic grating structure can travel at the same velocity as the electrons along the grating surface. A longitudinal electric field component is used to continuously impart momentum onto the electrons. This is only possible in the near-field of a suitable photonic structure, which means that the electron beam has to pass the structure within about one wavelength. In our experiment we exploit the third spatial harmonic of a single fused silica grating excited by laser pulses derived from a Titanium:sapphire oscillator and accelerate non-relativistic 28 keV electrons. We measure a maximum energy gain of 280 eV, corresponding to an acceleration gradient of 25 MeV/m, already comparable with state-of-the-art radio-frequency linear accelerators. To experience this acceleration gradient the electrons approach the grating closer than 100 nm. We present the theory behind grating-based particle acceleration and discuss simulation results of dielectric laser acceleration in the near-field of photonic grating structures, which is excited by near-infrared laser light. Our measurements show excellent agreement with our simulation results and therefore confirm the direct acceleration with the light field. We further discuss the acceleration inside double grating structures, dephasing effects of non-relativistic electrons as well as the space charge effect, which can limit the attainable peak currents of these novel accelerator structures. The photonic structures described in this work can be readily concatenated and therefore represent a scalable realization of dielectric laser acceleration. Furthermore, our structures are directly compatible with the microstructures used for the acceleration of relativistic electrons demonstrated in parallel to this work by our collaborators in

Strong-field relativistic processes in highly charged ions

Energy Technology Data Exchange (ETDEWEB)

Postavaru, Octavian

2010-12-08

In this thesis we investigate strong-field relativistic processes in highly charged ions. In the first part, we study resonance fluorescence of laser-driven highly charged ions in the relativistic regime by solving the time-dependent master equation in a multi-level model. Our ab initio approach based on the Dirac equation allows for investigating highly relativistic ions, and, consequently, provides a sensitive means to test correlated relativistic dynamics, bound-state quantum electrodynamic phenomena and nuclear effects by applying coherent light with x-ray frequencies. Atomic dipole or multipole moments may be determined to unprecedented accuracy by measuring the interference-narrowed fluorescence spectrum. Furthermore, we investigate the level structure of heavy hydrogenlike ions in laser beams. Interaction with the light field leads to dynamic shifts of the electronic energy levels, which is relevant for spectroscopic experiments. We apply a fully relativistic description of the electronic states by means of the Dirac equation. Our formalism goes beyond the dipole approximation and takes into account non-dipole effects of retardation and interaction with the magnetic field components of the laser beam. We predicted cross sections for the inter-shell trielectronic recombination (TR) and quadruelectronic recombination processes which have been experimentally confirmed in electron beam ion trap measurements, mainly for C-like ions, of Ar, Fe and Kr. For Kr{sup 30}+, inter-shell TR contributions of nearly 6% to the total resonant photorecombination rate were found. (orig.)

Isolating relativistic effects in large-scale structure

Science.gov (United States)

Bonvin, Camille

2014-12-01

We present a fully relativistic calculation of the observed galaxy number counts in the linear regime. We show that besides the density fluctuations and redshift-space distortions, various relativistic effects contribute to observations at large scales. These effects all have the same physical origin: they result from the fact that our coordinate system, namely the galaxy redshift and the incoming photons’ direction, is distorted by inhomogeneities in our Universe. We then discuss the impact of the relativistic effects on the angular power spectrum and on the two-point correlation function in configuration space. We show that the latter is very well adapted to isolate the relativistic effects since it naturally makes use of the symmetries of the different contributions. In particular, we discuss how the Doppler effect and the gravitational redshift distortions can be isolated by looking for a dipole in the cross-correlation function between a bright and a faint population of galaxies.

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.

Lectures on ion-atom collisions from nonrelativistic to relativistic velocities

CERN Document Server

Eichler, Jörg

2005-01-01

Atomic collisions offer some unique opportunities to study atomic structure and reaction mechanisms in experiment and theory, especially for projectiles of high atomic number provided by modern accelerators. The book is meant as an introduction into the field and provides some basic theoretical understanding of the atomic processes occurring when a projectile hits another atom. It also furnishes the tools for a mathematical description, however, without going deeper into the technical details, which can be found in the literature given. With this aim, the focus is on reactions, in which only a single active electron participates. Collisional excitation, ionization and charge transfer are discussed for collision velocities ranging from slow to comparable to thespeed of light. For the highest projectile velocities, energy can be converted into mass, so that electron-positron pairs are created. In addition to the systematic treatment, a theoretical section specializes on electron-electroncorrelations and three...

Atomic physics with hard X-rays from high brilliance synchrotron light sources

International Nuclear Information System (INIS)

Southworth, S.; Gemmell, D.

1996-08-01

A century after the discovery of x rays, the experimental capability for studying atomic structure and dynamics with hard, bright synchrotron radiation is increasing remarkably. Tempting opportunities arise for experiments on many-body effects, aspects of fundamental photon-atom interaction processes, and relativistic and quantum-electrodynamic phenomena. Some of these possibilities are surveyed in general terms

Atomic physics with hard X-rays from high brilliance synchrotron light sources

Energy Technology Data Exchange (ETDEWEB)

Southworth, S.; Gemmell, D.

1996-08-01

A century after the discovery of x rays, the experimental capability for studying atomic structure and dynamics with hard, bright synchrotron radiation is increasing remarkably. Tempting opportunities arise for experiments on many-body effects, aspects of fundamental photon-atom interaction processes, and relativistic and quantum-electrodynamic phenomena. Some of these possibilities are surveyed in general terms.

Calculation of relativistic and isotope shifts in Mg I

International Nuclear Information System (INIS)

Berengut, J.C.; Flambaum, V.V.; Kozlov, M.G.

2005-01-01

We present an ab initio method of calculation of the isotope and relativistic shifts in atoms with a few valence electrons. It is based on an energy calculation involving the combination of the configuration-interaction method and many-body perturbation theory. This work is motivated by analyses of quasar absorption spectra that suggest that the fine-structure constant α was smaller at an early epoch. Relativistic shifts are needed to measure this variation of α, while isotope shifts are needed to resolve systematic effects in this study. The isotope shifts can also be used to measure isotopic abundances in gas clouds in the early universe, which are needed to study nuclear reactions in stars and supernovae and test models of chemical evolution. This paper shows that the isotope shift in magnesium can be calculated to very high precision using our method

Relativistic corrections to fine structure of positronium

International Nuclear Information System (INIS)

Martynenko, A.P.; Faustov, R.N.

1997-01-01

On the basis of the quasipotential method, we have calculated the relativistic corrections in the positronium fine structure intervals 2 3 S 1 -2 3 P J . The contributions of order of mα 6 for the positronium S-levels were obtained from the one-photon, two-photon interactions and the second-order perturbation theory. We have obtained also the contribution of the two-photon annihilation diagrams to the interaction operator of the P-wave positronium. The corrections of order of α 5 R ∞ and α 5 1nαR ∞ to the P-wave energy levels of positronium were calculated

Scalar Relativistic Study of the Structure of Rhodium Acetate

Directory of Open Access Journals (Sweden)

Emily E. Edwards

2004-01-01

Full Text Available Abstract: Rhodium acetate, related rhodium carboxylates, and rhodium amide complexes are powerful catalysts for carbene chemistry. They readily promote the decomposition of diazo compounds and transfer the resulting carbene to a variety of substrates. There have been several quantum chemistry studies of these compounds, particularly of the acetate. These have all used non-relativistic methods, and all have shown optimized Rh-Rh bond lengths significantly longer than the experimental value. In this study we have surveyed several scalar relativistic DFT methods using Gaussian, Slater, and numerical basis functions (in DGAUSS, ADF, and DMOL3. Several combinations of exchange-correlation functionals with relativistic and non-relativistic effective core potentials (ECP were investigated, as were non-relativistic and all electron scalar relativistic methods. The combination of the PW91 exchange and PW91 correlation functional with the Christiansen-Ermler ECP gave the best results: 2.3918 Å compared to the experimental value of 2.3855±0.0005 Å.

Current Capability of Atomic Structure Theory

International Nuclear Information System (INIS)

Kim, Yong Ki

1993-01-01

Current capability of atomic structure theory is reviewed, and advantages, disadvantages and major features of popular atomic structure codes described. Comparisons between theoretical and experimental data on transition energies and lifetimes of excited levels are presented to illustrate the current capability of atomic structure codes.

Slowing down of relativistic heavy ions and new applications

International Nuclear Information System (INIS)

Geissel, H.; Scheidenberger, C.

1997-10-01

New precision experiments using powerful accelerator facilities and high-resolution spectrometers have contributed to a better understanding of the atomic and nuclear interactions of relativistic heavy ions with matter. Experimental results on stopping power and energy-loss straggling of bare heavy projectiles demonstrate large systematic deviations from theories based on first order perturbation. The energy-loss straggling is more than a factor of two enhanced for the heaviest projectiles compared to the relativistic Bohr formula. The interaction of cooled relativistic heavy ions with crystals opens up new fields for basic research and applications, i. e., for the first time resonant coherent excitations of both atomic and nuclear levels can be measured at the first harmonic. The spatial monoisotopic separation of exotic nuclei with in-flight separators and the tumor therapy with heavy ions are new applications based on a precise knowledge of slowing down. (orig.)

Relativistic multiple scattering X-alpha calculations

International Nuclear Information System (INIS)

Chermette, H.; Goursot, A.

1986-01-01

The necessity to include self-consistent relativistic corrections in molecular calculations has been pointed out for all compounds involving heavy atoms. Most of the changes in the electronic properties are due to the mass-velocity and the so-called Darwin terms so that the use of Wood and Boring's Hamiltonian is very convenient for this purpose as it can be easily included in MSXalpha programs. Although the spin orbit operator effects are only obtained by perturbation theory, the results compare fairly well with experiment and with other relativistic calculations, namely Hartree-Fock-Slater calculations

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

International Nuclear Information System (INIS)

Ishikawa, Y.; Quiney, H.M.

1993-01-01

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

Atomic ionization of germanium by neutrinos from an ab initio approach

International Nuclear Information System (INIS)

Chen, Jiunn-Wei; Chi, Hsin-Chang; Huang, Keh-Ning; Liu, C.-P.; Shiao, Hao-Tse; Singh, Lakhwinder; Wong, Henry T.; Wu, Chih-Liang; Wu, Chih-Pan

2014-01-01

An ab initio calculation of atomic ionization of germanium by neutrinos was carried out in the framework of multiconfiguration relativistic random phase approximation and benchmarked by related atomic structure and photoabsorption data. This improves over the conventional approach based on scattering off free electrons whose validity at sub-keV energy transfer is questionable. Limits on neutrino magnetic moments are derived using reactor neutrino data taken with low threshold germanium detectors. Future applications of these atomic techniques will greatly reduce the atomic uncertainties in low-energy neutrino and dark matter detections.

Atomic structure calculations and identification of EUV and SXR spectral lines in Sr XXX

Science.gov (United States)

Goyal, Arun; Khatri, Indu; Aggarwal, Sunny; Singh, A. K.; Mohan, Man

2015-08-01

We report an extensive theoretical study of atomic data for Sr XXX in a wide range with L-shell electron excitations to the M-shell. We have calculated energy levels, wave-function compositions and lifetimes for lowest 113 fine structure levels and wavelengths of an extreme Ultraviolet (EUV) and soft X-ray (SXR) transitions. We have employed multi-configuration Dirac Fock method (MCDF) approach within the framework of Dirac-Coulomb Hamiltonian including quantum electrodynamics (QED) and Breit corrections. We have also presented the radiative data for electric and magnetic dipole (E1, M1) and quadrupole (E2, M2) transitions from the ground state. We have made comparisons with available energy levels compiled by NIST and achieve good agreement. But due to inadequate data in the literature, analogous relativistic distorted wave calculations have also been performed using flexible atomic code (FAC) to assess the reliability and accuracy of our results. Additionally, we have provided new atomic data for Sr XXX which is not published elsewhere in the literature and we believe that our results may be beneficial in fusion plasma research and astrophysical investigations and applications.

Relativistic corrections to the fine structure of positronium

International Nuclear Information System (INIS)

Faustov, R. N.; Martynenko, A. P.

1997-01-01

The quasipotential method is used to calculate relativistic corrections in the positronium-fine-structure intervals 2 3 S 1 -2 3 P J . From analysis of one- and two-photon interactions, corrections of order mα 6 are found for positronium S states in the second order of perturbation theory. The contribution of the two-photon annihilation diagrams to the interaction operator for P-wave positronium is determined, and corrections of orders α 5 R ∞ and α 5 ln αR ∞ to the P-wave levels of positronium are calculated

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

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...

Propagation of localized structures in relativistic magnetized electron-positron plasmas using particle-in-cell simulations

Energy Technology Data Exchange (ETDEWEB)

López, Rodrigo A. [Departamento de Física, Facultad de Ciencias Físicas y Matemáticas, Universidad de Concepción, Concepción 4070386 (Chile); Muñoz, Víctor [Departamento de Física, Facultad de Ciencias, Universidad de Chile, Casilla 653, Santiago (Chile); Viñas, Adolfo F. [Geospace Physics Laboratory, Heliophysics Science Division, NASA Goddard Space Flight Center, Greenbelt, Maryland 20771 (United States); Valdivia, Juan A. [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 9170124 (Chile)

2015-09-15

We use a particle-in-cell simulation to study the propagation of localized structures in a magnetized electron-positron plasma with relativistic finite temperature. We use as initial condition for the simulation an envelope soliton solution of the nonlinear Schrödinger equation, derived from the relativistic two fluid equations in the strongly magnetized limit. This envelope soliton turns out not to be a stable solution for the simulation and splits in two localized structures propagating in opposite directions. However, these two localized structures exhibit a soliton-like behavior, as they keep their profile after they collide with each other due to the periodic boundary conditions. We also observe the formation of localized structures in the evolution of a spatially uniform circularly polarized Alfvén wave. In both cases, the localized structures propagate with an amplitude independent velocity.

Propagation of localized structures in relativistic magnetized electron-positron plasmas using particle-in-cell simulations

International Nuclear Information System (INIS)

López, Rodrigo A.; Muñoz, Víctor; Viñas, Adolfo F.; Valdivia, Juan A.

2015-01-01

We use a particle-in-cell simulation to study the propagation of localized structures in a magnetized electron-positron plasma with relativistic finite temperature. We use as initial condition for the simulation an envelope soliton solution of the nonlinear Schrödinger equation, derived from the relativistic two fluid equations in the strongly magnetized limit. This envelope soliton turns out not to be a stable solution for the simulation and splits in two localized structures propagating in opposite directions. However, these two localized structures exhibit a soliton-like behavior, as they keep their profile after they collide with each other due to the periodic boundary conditions. We also observe the formation of localized structures in the evolution of a spatially uniform circularly polarized Alfvén wave. In both cases, the localized structures propagate with an amplitude independent velocity

Nuclear and atomic physics at one gigaflop

International Nuclear Information System (INIS)

Bottcher, C.; Strayer, J.B.

1989-01-01

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

Leading relativistic corrections for atomic P states calculated with a finite-nuclear-mass approach and all-electron explicitly correlated Gaussian functions

Science.gov (United States)

Stanke, Monika; Bralin, Amir; Bubin, Sergiy; Adamowicz, Ludwik

2018-01-01

In this work we report progress in the development and implementation of quantum-mechanical methods for calculating bound ground and excited states of small atomic systems. The work concerns singlet states with the L =1 total orbital angular momentum (P states). The method is based on the finite-nuclear-mass (non-Born-Oppenheimer; non-BO) approach and the use of all-particle explicitly correlated Gaussian functions for expanding the nonrelativistic wave function of the system. The development presented here includes derivation and implementation of algorithms for calculating the leading relativistic corrections for singlet states. The corrections are determined in the framework of the perturbation theory as expectation values of the corresponding effective operators using the non-BO wave functions. The method is tested in the calculations of the ten lowest 1P states of the helium atom and the four lowest 1P states of the beryllium atom.

Breit–Pauli atomic structure calculations for Fe XI

International Nuclear Information System (INIS)

Aggarwal, Sunny; Singh, Jagjit; Mohan, Man

2013-01-01

Energy levels, oscillator strengths, and transition probabilities are calculated for the lowest-lying 165 energy levels of Fe XI using configuration-interaction wavefunctions. The calculations include all the major correlation effects. Relativistic effects are included in the Breit–Pauli approximation by adding mass-correction, Darwin, and spin–orbit interaction terms to the non-relativistic Hamiltonian. For comparison with the calculated ab initio energy levels, we have also calculated the energy levels by using the fully relativistic multiconfiguration Dirac–Fock method. The calculated results are in close agreement with the National Institute of Standards and Technology compilation and other available results. New results are predicted for many of the levels belonging to the 3s3p 4 3d and 3s3p 3 3d 2 configurations, which are very important in astrophysics, relevant, for example, to the recent observations by the Hinode spacecraft. We expect that our extensive calculations will be useful to experimentalists in identifying the fine structure levels in their future work

Spectra of highly ionized atoms of tokamak interest

International Nuclear Information System (INIS)

Cowan, R.D.

1977-01-01

The general nature of the change in energy level structures along an isoelectronic sequence is reviewed, with particular emphasis on relativistic effects and changes in coupling conditions. The accuracy of computed wavelengths is checked by comparison with experimental data on inner-shell (x-ray) transitions in singly ionized atoms. Relativistic effects can be extremely important for Δn = 0 transitions, but are taken into account fairly accurately by the approximate relativistic methods used. Computed ionization energies are given for important ions of Cr, Fe, Ni, Kr, Mo, Xe, W, and Au. Computed wavelengths and oscillator strengths are given for resonance lines of most of these elements in the simple isoelectronic sequences of neutral Li, Be, Na, Mg, K, Ni, Cu, and Zn, and more detailed electric- and magnetic-dipole spectra are given for ions of greatest importance

Theoretical atomic physics for fusion: 1988 annual report

International Nuclear Information System (INIS)

Pindzola, M.S.

1988-01-01

This paper discusses progress in atomic physics in the following areas: Electron-impact ionization of atomic ions; electron-impact excitation of atomic ions; Dielectronic recombination of atomic ions; and relativistic effects on electron-ion scattering

From Lattice Boltzmann to hydrodynamics in dissipative relativistic fluids

Science.gov (United States)

Gabbana, Alessandro; Mendoza, Miller; Succi, Sauro; Tripiccione, Raffaele

2017-11-01

Relativistic fluid dynamics is currently applied to several fields of modern physics, covering many physical scales, from astrophysics, to atomic scales (e.g. in the study of effective 2D systems such as graphene) and further down to subnuclear scales (e.g. quark-gluon plasmas). This talk focuses on recent progress in the largely debated connection between kinetic transport coefficients and macroscopic hydrodynamic parameters in dissipative relativistic fluid dynamics. We use a new relativistic Lattice Boltzmann method (RLBM), able to handle from ultra-relativistic to almost non-relativistic flows, and obtain strong evidence that the Chapman-Enskog expansion provides the correct pathway from kinetic theory to hydrodynamics. This analysis confirms recently obtained theoretical results, which can be used to obtain accurate calibrations for RLBM methods applied to realistic physics systems in the relativistic regime. Using this calibration methodology, RLBM methods are able to deliver improved physical accuracy in the simulation of the physical systems described above. European Union's Horizon 2020 research and innovation programme under the Marie Sklodowska-Curie Grant Agreement No. 642069.

Atomic structure in black hole

International Nuclear Information System (INIS)

Nagatani, Yukinori

2006-01-01

We propose that any black hole has atomic structure in its inside and has no horizon as a model of black holes. Our proposal is founded on a mean field approximation of gravity. The structure of our model consists of a (charged) singularity at the center and quantum fluctuations of fields around the singularity, namely, it is quite similar to that of atoms. Any properties of black holes, e.g. entropy, can be explained by the model. The model naturally quantizes black holes. In particular, we find the minimum black hole, whose structure is similar to that of the hydrogen atom and whose Schwarzschild radius is approximately 1.1287 times the Planck length. Our approach is conceptually similar to Bohr's model of the atomic structure, and the concept of the minimum Schwarzschild radius is similar to that of the Bohr radius. The model predicts that black holes carry baryon number, and the baryon number is rapidly violated. This baryon number violation can be used as verification of the model. (author)

Anomalous property of coherent bremsstrahlung linear polarization of relativistic electrons in a crystal

International Nuclear Information System (INIS)

Lapko, V.P.; Nasonov, N.N.; Truten', V.I.

1993-01-01

Polarization and spectral-and-angular properties of γ-radiation of the relativistic electron flux moving in a crystal under uncorrelated collisions with crystal atomic chains, are studied theoretically. Direction of linear polarization of radiation is shown to vary with energy of emitted photon. Reasons of occurrence of this effect are discussed. The results of numerical calculations demonstrating the possibility to form an intensive source of polarized γ-quanta on the basis of coherent radiation of relativistic electrons during low-angular scattering at crystal atom chains, are given

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.

Pion production in relativistic collisions of nuclear drops

International Nuclear Information System (INIS)

Alonso, C.T.; Wilson, J.R.; McAbee, T.L.; Zingman, J.A.

1988-09-01

In a continuation of the long-standing effort of the nuclear physics community to model atomic nuclei as droplets of a specialized nuclear fluid, we have developed a hydrodynamic model for simulating the collisions of heavy nuclei at relativistic speeds. Our model couples ideal relativistic hydrodynamics with a new Monte Carlo treatment of dynamic pion production and tracking. The collective flow for low-energy (200 MeV/N) collisions predicted by this model compares favorably with results from earlier hydrodynamic calculations which used quite different numerical techniques. Our pion predictions at these lower energies appear to differ, however, from the experimental data on pion multiplicities. In this case of ultra-relativistic (200 GeV/N) collisions, our hydrodynamic model has produced baryonic matter distributions which are in reasonable agreement with recent experimental data. These results may shed some light on the sensitivity of relativistic collision data to the nuclear equation of state. 20 refs., 12 figs

Electron correlation within the relativistic no-pair approximation

Energy Technology Data Exchange (ETDEWEB)

Almoukhalalati, Adel; Saue, Trond, E-mail: trond.saue@irsamc.ups-tlse.fr [Laboratoire de Chimie et Physique Quantique, UMR 5626 CNRS — Université Toulouse III-Paul Sabatier, 118 route de Narbonne, F-31062 Toulouse (France); Knecht, Stefan [ETH Zürich, Laboratorium für Physikalische Chemie, Vladimir-Prelog-Weg 2, 8093 Zürich (Switzerland); Jensen, Hans Jørgen Aa. [Department of Physics, Chemistry and Pharmacy, University of Southern Denmark, Campusvej 55, DK-5230 Odense M (Denmark); Dyall, Kenneth G. [Dirac Solutions, 10527 NW Lost Park Drive, Portland, Oregon 97229 (United States)

2016-08-21

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. In practice, what is reported is the basis set correlation energy, where the “exact” value is provided by a full Configuration Interaction (CI) calculation with some specified one-particle basis. The extension of this definition to the relativistic domain is not straightforward since the corresponding 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 and that this is possible by full Multiconfigurational Self-Consistent Field (MCSCF) calculations, that is, MCSCF calculations using a no-pair full CI expansion, but including orbital relaxation from the negative-energy orbitals. We show by variational perturbation theory that the MCSCF correlation energy is a pure MP2-like correlation expression, whereas the corresponding CI correlation energy contains an additional relaxation term. We explore numerically our theoretical analysis by carrying out variational and perturbative calculations on the two-electron rare gas atoms with specially tailored basis sets. In particular, we show that the correlation energy obtained by the suggested MCSCF procedure is smaller than the no-pair full CI correlation energy, in accordance with the

Electromagnetic processes in relativistic heavy ion collisions

International Nuclear Information System (INIS)

Bertulani, C.A.; Universidade Federal do Rio de Janeiro; Baur, G.

1987-10-01

A study of the processes generated by the electromagnetic interaction in relativistic nuclear, and atomic collisions is presented. There is nowadays a vivid interest in this field due to the construction of relativistic heavy ion accelerators. Certainly, the most important purpose of these relativistic heavy ion machines is the study of nuclear matter under extreme conditions. In central nucleus-nucleus collisions one hopes to observe new forms of nuclear matter, like the quark-gluon plasma. On the other hand, very strong electromagnetic fields for a very short time are present in distant collisions with no nuclear contact. Such fields can also lead to interesting effects, which are discussed here. There has been many interesting theoretical and experimental developments on this subject, and new areas of research were opened. Of special interest is, e.g., the case of nuclear fragmentation. This is accomplished through the excitation of giant resonances or by direct breakt-up of the nuclei by means of their electromagnetic interaction. It is shown that this process can be used to study nuclear structure properties which are not accessible by means of the traditional electromagnetic excitation at nonrelativistic energies. The creation of particles is also of interest due the large cross sections, specially in the case of electron-positron pair creation. Although to explain the many processes originated in this way one can develop very elaborate and complicated calculations, the results can be understood in very simple terms because of our almost complete comprehension of the electromagntic interaction. For those processes where the electromagntic interaction plays the dominant role this is clearly a very useful tool for the investigation of the structures created by the strong interaction in the nuclei or hadrons. (orig.)

General relativistic effects in the structure of massive white dwarfs

Science.gov (United States)

Carvalho, G. A.; Marinho, R. M.; Malheiro, M.

2018-04-01

In this work we investigate the structure of white dwarfs using the Tolman-Oppenheimer-Volkoff equations and compare our results with those obtained from Newtonian equations of gravitation in order to put in evidence the importance of general relativity (GR) for the structure of such stars. We consider in this work for the matter inside white dwarfs two equations of state, frequently found in the literature, namely, the Chandrasekhar and Salpeter equations of state. We find that using Newtonian equilibrium equations, the radii of massive white dwarfs (M>1.3M_{⊙ }) are overestimated in comparison with GR outcomes. For a mass of 1.415M_{⊙ } the white dwarf radius predicted by GR is about 33% smaller than the Newtonian one. Hence, in this case, for the surface gravity the difference between the general relativistic and Newtonian outcomes is about 65%. We depict the general relativistic mass-radius diagrams as M/M_{⊙ }=R/(a+bR+cR^2+dR^3+kR^4), where a, b, c and d are parameters obtained from a fitting procedure of the numerical results and k=(2.08× 10^{-6}R_{⊙ })^{-1}, being R_{⊙ } the radius of the Sun in km. Lastly, we point out that GR plays an important role to determine any physical quantity that depends, simultaneously, on the mass and radius of massive white dwarfs.

Electromagnetic processes in relativistic heavy ion collisions

International Nuclear Information System (INIS)

Bertulani, C.A.; Rio de Janeiro Univ.

1987-05-01

A study of the processes generated by the electromagnetic interaction in relativistic nuclear, and atomic collisions is presented. Very strong electromagnetic fields for a very short time are present in distant collisions with no nuclear contact. Such fields can also lead to interesting effects, which are discussed here. (orig.)

Atomic transition energies and the variation of the fine-structure constant α

International Nuclear Information System (INIS)

Borschevsky, Anastasia; Eliav, Ephraim; Ishikawa, Yasuyuki; Kaldor, Uzi

2006-01-01

Relativistic energy shifts of atomic excitation energies, showing the dependence of these energies on the value of the fine-structure constant α, are needed to extract past changes in α from spectra of distant quasars. These shifts are calculated by the Fock-space coupled cluster method and its extrapolated intermediate Hamiltonian extension, which allow high-accuracy treatment of electron correlation. The accuracy of the method is tested by comparing 33 transition energies in heavy atoms (obtained with the laboratory α) with experiment; the average error is 258 cm -1 , and the largest error is 711 cm -1 . This may be compared with an average error of 432 cm -1 and a maximum error of 2150 cm -1 in the work of Dzuba et al., who reported most of the available energy shift calculations. The enhanced accuracy is due to more extensive inclusion of electron correlation. To obtain the energy shifts, we repeated the calculations with different values of α (within 0.1% of the current value). Our shifts differ by up to 30% from the values given by Dzuba et al., with an average difference of 9%. Based on the better quality of the present-day excitation energies, we believe the energy shifts reported here are more accurate than earlier work

Atomic structure calculations and identification of EUV and SXR spectral lines in Sr XXX

International Nuclear Information System (INIS)

Goyal, Arun; Khatri, Indu; Aggarwal, Sunny; Singh, A.K.; Mohan, Man

2015-01-01

We report an extensive theoretical study of atomic data for Sr XXX in a wide range with L-shell electron excitations to the M-shell. We have calculated energy levels, wave-function compositions and lifetimes for lowest 113 fine structure levels and wavelengths of an extreme Ultraviolet (EUV) and soft X-ray (SXR) transitions. We have employed multi-configuration Dirac Fock method (MCDF) approach within the framework of Dirac–Coulomb Hamiltonian including quantum electrodynamics (QED) and Breit corrections. We have also presented the radiative data for electric and magnetic dipole (E1, M1) and quadrupole (E2, M2) transitions from the ground state. We have made comparisons with available energy levels compiled by NIST and achieve good agreement. But due to inadequate data in the literature, analogous relativistic distorted wave calculations have also been performed using flexible atomic code (FAC) to assess the reliability and accuracy of our results. Additionally, we have provided new atomic data for Sr XXX which is not published elsewhere in the literature and we believe that our results may be beneficial in fusion plasma research and astrophysical investigations and applications. - Highlights: • 113 Lowest levels for Sr XXX are calculated. • Extreme Ultraviolet (EUV) and soft-X ray (SXR) spectral lines are identified. • Wavelengths of EUV and SXR spectral lines are reported. • E1, E2, M1 and M2 transition rates, oscillator strengths and lines strengths for lowest 113 levels are presented. • Lifetimes for lowest 113 fine structure levels are provided

Relativistic current sheets in electron-positron plasmas

International Nuclear Information System (INIS)

Zenitani, S.

2008-01-01

The current sheet structure with magnetic field reversal is one of the fundamental structure in space and astrophysical plasmas. It draws recent attention in high-energy astrophysical settings, where relativistic electron-positron plasmas are considered. In this talk we will review the recent progress of the physical processes in the relativistic current sheet. The kinetic stability of a single current sheet, the nonlinear behavior of these instabilities, and recent challenges on the multi current sheet systems are introduced. We will also introduce some problems of magnetic reconnection in these relativistic environments. (author)

Electronic structure of atoms: atomic spectroscopy information system

International Nuclear Information System (INIS)

Kazakov, V V; Kazakov, V G; Kovalev, V S; Meshkov, O I; Yatsenko, A S

2017-01-01

The article presents a Russian atomic spectroscopy, information system electronic structure of atoms (IS ESA) (http://grotrian.nsu.ru), and describes its main features and options to support research and training. The database contains over 234 000 records, great attention paid to experimental data and uniform filling of the database for all atomic numbers Z, including classified levels and transitions of rare earth and transuranic elements and their ions. Original means of visualization of scientific data in the form of spectrograms and Grotrian diagrams have been proposed. Presentation of spectral data in the form of interactive color charts facilitates understanding and analysis of properties of atomic systems. The use of the spectral data of the IS ESA together with its functionality is effective for solving various scientific problems and training of specialists. (paper)

Electronic structure of atoms: atomic spectroscopy information system

Science.gov (United States)

Kazakov, V. V.; Kazakov, V. G.; Kovalev, V. S.; Meshkov, O. I.; Yatsenko, A. S.

2017-10-01

The article presents a Russian atomic spectroscopy, information system electronic structure of atoms (IS ESA) (http://grotrian.nsu.ru), and describes its main features and options to support research and training. The database contains over 234 000 records, great attention paid to experimental data and uniform filling of the database for all atomic numbers Z, including classified levels and transitions of rare earth and transuranic elements and their ions. Original means of visualization of scientific data in the form of spectrograms and Grotrian diagrams have been proposed. Presentation of spectral data in the form of interactive color charts facilitates understanding and analysis of properties of atomic systems. The use of the spectral data of the IS ESA together with its functionality is effective for solving various scientific problems and training of specialists.

Elementary Atom Interaction with Matter

OpenAIRE

Mrowczynski, Stanislaw

1998-01-01

The calculations of the elementary atom (the Coulomb bound state of elementary particles) interaction with the atom of matter, which are performed in the Born approximation, are reviewed. We first discuss the nonrelativistic approach and then its relativistic generalization. The cross section of the elementary atom excitation and ionization as well as the total cross section are considered. A specific selection rule, which applies for the atom formed as positronium by particle-antiparticle pa...

Scattering in relativistic particle mechanics

International Nuclear Information System (INIS)

De Bievre, S.

1986-01-01

The problem of direct interaction in relativistic particle mechanics has been extensively studied and a variety of models has been proposed avoiding the conclusions of the so-called no-interaction theorems. In this thesis the authors studied scattering in the relativistic two-body problem. He uses the results to analyze gauge invariance in Hamiltonian constraint models and the uniqueness of the symplectic structure in manifestly covariant relativistic particle mechanics. A general geometric framework that underlies approaches to relativistic particle mechanics is presented and the kinematic properties of the scattering transformation, i.e., those properties that arise solely from the invariance of the theory under the Poincare group are studied. The second part of the analysis of the relativistic two-body scattering problem is devoted to the dynamical properties of the scattering process. Using general geometric arguments, gauge invariance of the scattering transformation in the Todorov-Komar Hamiltonian constraint model is proved. Finally, quantization of the models is discussed

Theoretical investigation of the energy spectra of the oxygen isoelectronic sequences taking into account relativistic corrections

International Nuclear Information System (INIS)

Bogdanovich, P.O.; Shadzhyuvene, S.D.; Boruta, I.I.; Rudzikas, Z.B.

1976-01-01

A method for calculating energy spectra of atoms and ions having complex electron configurations is developed which takes into account relativistic corrections of the order of magnitude of the square of the structure constant. The corrections included are caused by the dependence of the electron mass on velocity; by orbit-orbit interaction; by contact interaction and by spin-orbit interaction. The method described is realized in the form of universal algorithms and programs which are written in the Fortran 4 in the BESM-6 version. Examples are given of calculating the ground ls 2 2s 2 2p 6 configuration and two excited ls 2 2s 2 2p 3 3s and ls 2 2s2p 5 ones of the isoelectronic oxygen series, both with and without taking into account the relativistic corrections. The value of the nuclear charge varies from Z=8 to Z=80. The contribution of relativistic corrections increases with Z. The effect of relativistic corrections on the distance between the centers of gravity of ground and excited configurations increases with Z. The comparison of the results obtained with experimental data is made

Superheavy nuclei in the relativistic mean-field theory

International Nuclear Information System (INIS)

Lalazissis, G.A.; Ring, P.; Gambhir, Y.K.

1996-01-01

We have carried out a study of superheavy nuclei in the framework of the relativistic mean-field theory. Relativistic Hartree-Bogoliubov (RHB) calculations have been performed for nuclei with large proton and neutron numbers. A finite-range pairing force of Gogny type has been used in the RHB calculations. The ground-state properties of very heavy nuclei with atomic numbers Z=100-114 and neutron numbers N=154-190 have been obtained. The results show that in addition to N=184 the neutron numbers N=160 and N=166 exhibit an extra stability as compared to their neighbors. For the case of protons the atomic number Z=106 is shown to demonstrate a closed-shell behavior in the region of well deformed nuclei about N=160. The proton number Z=114 also indicates a shell closure. Indications for a doubly magic character at Z=106 and N=160 are observed. Implications of shell closures on a possible synthesis of superheavy nuclei are discussed. (orig.)

Structures of 38-atom gold-platinum nanoalloy clusters

Energy Technology Data Exchange (ETDEWEB)

Ong, Yee Pin; Yoon, Tiem Leong [School of Physics, Universiti Sains Malaysia, 11800 USM, Penang (Malaysia); Lim, Thong Leng [Faculty of Engineering and Technology, Multimedia University, Melaka Campus, 75450 Melaka (Malaysia)

2015-04-24

Bimetallic nanoclusters, such as gold-platinum nanoclusters, are nanomaterials promising wide range of applications. We perform a numerical study of 38-atom gold-platinum nanoalloy clusters, Au{sub n}Pt{sub 38−n} (0 ≤ n ≤ 38), to elucidate the geometrical structures of these clusters. The lowest-energy structures of these bimetallic nanoclusters at the semi-empirical level are obtained via a global-minimum search algorithm known as parallel tempering multi-canonical basin hopping plus genetic algorithm (PTMBHGA), in which empirical Gupta many-body potential is used to describe the inter-atomic interactions among the constituent atoms. The structures of gold-platinum nanoalloy clusters are predicted to be core-shell segregated nanoclusters. Gold atoms are observed to preferentially occupy the surface of the clusters, while platinum atoms tend to occupy the core due to the slightly smaller atomic radius of platinum as compared to gold’s. The evolution of the geometrical structure of 38-atom Au-Pt clusters displays striking similarity with that of 38-atom Au-Cu nanoalloy clusters as reported in the literature.

Magnetic anisotropy of heteronuclear dimers in the gas phase and supported on graphene: relativistic density-functional calculations.

Science.gov (United States)

Błoński, Piotr; Hafner, Jürgen

2014-04-09

The structural and magnetic properties of mixed PtCo, PtFe, and IrCo dimers in the gas phase and supported on a free-standing graphene layer have been calculated using density-functional theory, both in the scalar-relativistic limit and self-consistently including spin-orbit coupling. The influence of the strong magnetic moments of the 3d atoms on the spin and orbital moments of the 5d atoms, and the influence of the strong spin-orbit coupling contributed by the 5d atom on the orbital moments of the 3d atoms have been studied in detail. The magnetic anisotropy energy is found to depend very sensitively on the nature of the eigenstates in the vicinity of the Fermi level, as determined by band filling, exchange splitting and spin-orbit coupling. The large magnetic anisotropy energy of free PtCo and IrCo dimers relative to the easy direction parallel to the dimer axis is coupled to a strong anisotropy of the orbital magnetic moments of the Co atom for both dimers, and also on the Ir atom in IrCo. In contrast the PtFe dimer shows a weak perpendicular anisotropy and only small spin and orbital anisotropies of opposite sign on the two atoms. For dimers supported on graphene, the strong binding within the dimer and the stronger interaction of the 3d atom with the substrate stabilizes an upright geometry. Spin and orbital moments on the 3d atom are strongly quenched, but due to the weaker binding within the dimer the properties of the 5d atom are more free-atom-like with increased spin and orbital moments. The changes in the magnetic moment are reflected in the structure of the electronic eigenstates near the Fermi level, for all three dimers the easy magnetic direction is now parallel to the dimer axis and perpendicular to the graphene layer. The already very large magnetic anisotropy energy (MAE) of IrCo is further enhanced by the interaction with the support, the MAE of PtFe changes sign, and that of the PtCo dimer is reduced. These changes are discussed in relation to

Structure and morphology of surface of silicon crystals to be applied for channeling at relativistic energies

International Nuclear Information System (INIS)

Vomiero, Alberto; Restello, Silvio; Scian, Carlo; Marchi, Enrico Boscolo; Mea, Gianantonio Della; Guidi, Vincenzo; Milan, Emiliano; Baricordi, Stefano; Martinelli, Giuliano; Carnera, Alberto; Sambo, Andrea

2006-01-01

Bent crystals can be successfully applied for extraction/collimation of relativistic particles. A crucial feature to obtain high extraction efficiencies is the treatment of the surfaces being encountered by the beam, since mechanical operations induce considerable lattice imperfections. In order to remove the superficial damaged layer a planar etching can be applied on the surface exposed to the beam. This work presents a systematic study of the morphology and the crystalline perfection of the surface of the samples that have been used in accelerators with high efficiency. Crystals with different surface treatments have been investigated. Scanning electron microscopy (SEM) and atomic force microscopy (AFM) were applied on the characterisation of surface morphology. Low energy backscattering channeling of 2-MeV α particles or protons was used as a probe for the crystalline structure. The presence of a superficial damaged layer in the samples just after mechanical treatment was unveiled, while, in contrast, chemical etching leaves a surface with high crystalline perfection that can be related to the record efficiency

Relativistic band-structure calculations for electronic properties of actinide dioxides

International Nuclear Information System (INIS)

Maehira, Takahiro; Hotta, Takashi

2007-01-01

Energy band structures of actinide dioxides AnO 2 (An=Th, U, Np, and Pu) are investigated by a relativistic linear augmented-plane-wave method with the exchange-correlation potential in a local density approximation (LDA). It is found in common that the energy bands in the vicinity of the Fermi level are mainly due to the hybridization between actinide 5f and oxygen 2p electrons. By focusing on the crystalline electric field states, we point out the problem in the application of the LDA to AnO 2

Recent investigations on electronic capture in atomic collisions

International Nuclear Information System (INIS)

Rivarola, R.D.

1988-01-01

In this work, electron capture processes in ion-atom collisions at various impact energy ranges are dicussed: i) intermediate non-relativistic energy; ii) high energy; iii) high relativistic energy. Much attention is given to the development and use of distorted wave models. (A.C.A.S.) [pt

Matrix elements of the electric multiple transition and relativistic correction operators in the case of complex configurations

International Nuclear Information System (INIS)

Kanyauskas, Yu.M.; Rudzikas, Z.B.

1976-01-01

Operators and their submatrix elements are studied in the framework of the electric multipole transitions of complex atoms with account of relativistic corrections of the order of the square of the fine structure constant. The analysis is performed by means of irreducible tensor operators and genealogical coefficients. It has been assumed that angular momenta of individual shells are coupled with each other according to ls, lk, jk and jj coupling. Formulas are given for the operator which causes the relativistic corrections for the single-electron multipole transition and for its submatrix element in the case of configurations with two unfilled shells. A possibility is discussed of using the formulas suggested for calculation. As follows from analysis, the relativistic correction operators even with the pure ls coupling allow intercombination transitions with ΔS equals +-1. The expressions obtained may turn out to be useful for performing calculations in the case of the intermediate type of coupling

Ionization of heavy targets by impact of relativistic projectiles

International Nuclear Information System (INIS)

Deco, G.R.; Fainstein, P.D.; Comision Nacional de Energia Atomica, San Carlos de Bariloche; Rivarola, R.D.

1988-01-01

Electron ejection from atomic targets by impact of bare heavy projectiles at relativistic collision energies is studied theoretically. First-order Born calculations are presented by using initial Darwin and final Sommerfeld-Maue wavefunctions. Comparisons with other calculations and experimental data are given. (orig.)

Analytical relativistic self-consistent-field calculations for atoms

International Nuclear Information System (INIS)

Barthelat, J.C.; Pelissier, M.; Durand, P.

1980-01-01

A new second-order representation of the Dirac equation is presented. This representation which is exact for a hydrogen atom is applied to approximate analytical self-consistent-field calculations for atoms. Results are given for the rare-gas atoms from helium to radon and for lead. The results compare favorably with numerical Dirac-Hartree-Fock solutions

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.

Relativistic and Non-Relativistic Electronic Molecular-Structure Calculations for Dimers of 4p-, 5p-, and 6p-Block Elements

NARCIS (Netherlands)

Hoefener, S.; Ahlrichs, R.; Knecht, S.; Visscher, L.

2012-01-01

We report results of non-relativistic and two-component relativistic single-reference coupled-cluster with single and double and perturbative triple excitations [CCSD(T)] treatments for the 4p-block dimers Ga

Relativistic Jahn-Teller effect in tetrahedral systems

International Nuclear Information System (INIS)

Opalka, Daniel; Domcke, Wolfgang; Segado, Mireia; Poluyanov, Leonid V.

2010-01-01

It is shown that orbitally degenerate states in highly symmetric systems are split by Jahn-Teller forces which are of relativistic origin (that is, they arise from the spin-orbit coupling operator). For the example of tetrahedral systems, the relativistic Jahn-Teller Hamiltonians of orbitally degenerate electronic states with spin 1/2 are derived. While both electrostatic and relativistic forces contribute to the Jahn-Teller activity of vibrational modes of E and T 2 symmetry in 2 T 2 states of tetrahedral systems, the electrostatic and relativistic Jahn-Teller couplings are complementary for 2 E states: The E mode is Jahn-Teller active through electrostatic forces, while the T 2 mode is Jahn-Teller active through the relativistic forces. The relativistic Jahn-Teller parameters have been computed with ab initio relativistic electronic-structure methods. It is shown for the example of the tetrahedral cluster cations of the group V elements that the relativistic Jahn-Teller couplings can be of the same order of magnitude as the familiar electrostatic Jahn-Teller couplings for the heavier elements.

Relativistic distances, sizes, lengths

International Nuclear Information System (INIS)

Strel'tsov, V.N.

1992-01-01

Such notion as light or retarded distance, field size, formation way, visible size of a body, relativistic or radar length and wave length of light from a moving atom are considered. The relation between these notions is cleared up, their classification is given. It is stressed that the formation way is defined by the field size of a moving particle. In the case of the electromagnetic field, longitudinal sizes increase proportionally γ 2 with growing charge velocity (γ is the Lorentz-factor). 18 refs

Relativistic nonlinear electrodynamics the QED vacuum and matter in super-strong radiation fields

CERN Document Server

Avetissian, Hamlet K

2016-01-01

This revised edition of the author’s classic 2006 text offers a comprehensively updated review of the field of relativistic nonlinear electrodynamics. It explores the interaction of strong and super-strong electromagnetic/laser radiation with the electromagnetic quantum vacuum and diverse types of matter – including free charged particles and antiparticles, acceleration beams, plasma and plasmous media.  The appearance of laser sources of relativistic and ultra-relativistic intensities over the last decade has stimulated investigation of a large class of processes under such super-strong radiation fields. Revisions for this second edition reflect these developments and the book includes new chapters on Bremsstrahlung and nonlinear absorption of superintense radiation in plasmas, the nonlinear interaction of relativistic atoms with intense laser radiation, nonlinear interaction of strong laser radiation with Graphene, and relativistic nonlinear phenomena in solid-plasma targets under supershort laser pul...

Influence of the atomic structure on the quantum state of sputtered Ir atoms

International Nuclear Information System (INIS)

Bastiaansen, J.; Philipsen, V.; Lievens, P.; Silverans, R.E.; Vandeweert, E.

2004-01-01

The probability of the ejection of a neutral atom in a specific quantum state after keV-ion beam sputtering is often interpreted in terms of the interaction between the atomic states of the escaping atom and the electronic states of the solid. In this work, we examined this interplay in the sputtering of iridium as this element has--unlike the elements employed in previous investigations--a complex atomic structure due to strong configuration interactions. Double-resonant two-photon laser ionization is used to probe the sputtered Ir atoms yielding information about the probability for an ejected atom to populate a specific atomic state and its escape velocity. The qualitative features of the corresponding population partition and state-selective velocity distributions show the influence of the excitation energy and the electronic structure of the different atomic states. A comparison is made between the experimental data and predictions from the resonant electron transfer description

Hydrogen atom model for nucleon and pion

International Nuclear Information System (INIS)

Baiquni, A.

1976-01-01

Discussion on Dion as double charge particle, covering that on semi classical model, proton Dionium model consequence, symmetry group in hydrogen, hydrogen atom dynamic group, and discussion on relativistic dynamic group, covering relativistic equation for hydrogen, operator extension of SO(4, 2), application of SO(4,2)O SO(4,2), and hydrogen complete equation, are given. (author)

Splitting of the spectral radiation density maximum for relativistic positrons moving through a single crystal near the crystallographic axis

International Nuclear Information System (INIS)

Adejshvili, D.I.; Anufriev, O.V.; Bochek, G.L.; Vit'ko, V.I.; Kovalenko, G.D.; Nikolajchuk, L.I.; Khizhnyak, N.A.; Shramenko, B.I.

1986-01-01

The fast particle radiation is studied on the basis of the periodic potential model which takes into account the discrete structure of atomic strings or planes along the channel direction. Results of the experiments on the linear accelerator on radiation of relativistic 1035 and 1050 MeV positrons in the diamond (axis 110) and silicon (axis 111) single crystals, respectively, are in good agreement with calculated data

Projectile X-ray emission in relativistic ion-atom collisions

Energy Technology Data Exchange (ETDEWEB)

Salem, Shadi Mohammad Ibrahim

2010-03-16

This work reports on the study of the projectile X-ray emission in relativistic ion-atom collisions. Excitation of K-shell in He-like uranium ions, electron capture into H-like uranium ions and Simultaneous ionization and excitation of initially He-like uranium ions have been studied using the experimental storage ring at GSI. For the K{sub {alpha}}{sub 1} and K{sub {alpha}}{sub 2} transitions originating from the excitation of the He-like uranium ions, no alignment was observed. In contrast, the Ly{sub {alpha}}{sub 1} radiation from the simultaneous ionization-excitation process of the He-like uranium ions shows a clear alignment. The experimental value leads to the inclusion of a magnetic term in the interaction potential. The capture process of target electrons into the highly-charged heavy ions was studied using H-like uranium ions at an incident energy of 220 MeV/u, impinging on N{sub 2} gas-target. It was shown that, the strongly aligned electrons captured in 2p{sub 3/2} level couple with the available 1s{sub 1/2} electron which shows no initial directional preference. The magnetic sub-state population of the 2p{sub 3/2} electron is redistributed according to the coupling rules to the magnetic sub-states of the relevant two-electron states. This leads to the large anisotropy in the corresponding individual ground state transitions contributing to the K{sub {alpha}}{sub 1} emission. From the K{sub {alpha}}{sub 1}/K{sub {alpha}}{sub 2} ratio, the current results show that the incoherent addition of the E1 and M2 transition components yield to an almost isotropic emission of the total K{sub {alpha}}{sub 1}. In contrast to the radiative electron capture, the experimental results for the K-shell single excitation of He-like uranium ions indicate that only the {sup 1}P{sub 1} level contributes to the K{sub {alpha}}{sub 1} transition. For this case, the anisotropy parameter {beta}{sub 20} was found to be -0.20{+-}0.03. This work also reports on the study of a two

Relativistic Theory of Few Body Systems

Energy Technology Data Exchange (ETDEWEB)

Franz Gross

2002-11-01

Very significant advances have been made in the relativistic theory of few body systems since I visited Peter Sauer and his group in Hannover in 1983. This talk provides an opportunity to review the progress in this field since then. Different methods for the relativistic calculation of few nucleon systems are briefly described. As an example, seven relativistic calculations of the deuteron elastic structure functions, A, B, and T{sub 20}, are compared. The covariant SPECTATOR {copyright} theory, among the more successful and complete of these methods, is described in more detail.

Time-dependent formulation of the many-electron problem in atoms; Zeitabhaengige Formulierung des Mehr-Elektronen-Problems in Atomen

Energy Technology Data Exchange (ETDEWEB)

Rosenberger, Martina

1997-05-15

Method development of the time-dependent numerical MCSCF and CI method for atoms, without and with inclusion of an oscillating electric field, linearly polarized (electric dipole approximation for light). In the CI method, the numerical orbitals are kept fixed (not time-dependent), and only the CI coefficients are propagated, whereas in the MCSCF method both the CI coefficients and the numerical orbitals in the CSFs are propagated. The basis for this work were the non-relativistic numerical atomic structure codes for free atoms and for atoms in a static electric field developed at Bielefeld. (orig.)

Relativistic Calculations and Measurements of Energies, Auger Rates, and Lifetimes.

Science.gov (United States)

1982-12-01

Research and Industry, Denton, Texas, 8-10 November 1982. 7. B. Crasemann: "Efectos Relativ’sticos y de QED Sobre las Transiciones Rayos - X y Auger Entre...INNER-SHELL IONIZATION BY PROTONS X -RAY EMISSION BREIT INTERACTION AUGER TRANSITIONS DIRAC-HARTREE-SLATER COMPUTATIONS SYNCHROTRON RADIATION RESONANT...computations, including relativistic and quantum- electrodynamic effects, of atomic energy levels and of x -ray and Auger transitions in atoms with one or

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

International Nuclear Information System (INIS)

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

1985-01-01

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

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...

The atomic structure of transition metal clusters

International Nuclear Information System (INIS)

Riley, S.J.

1995-01-01

Chemical reactions are used to probe the atomic (geometrical) structure of isolated clusters of transition metal atoms. The number of adsorbate molecules that saturate a cluster, and/or the binding energy of molecules to cluster surfaces, are determined as a function of cluster size. Systematics in these properties often make it possible to propose geometrical structures consistent with the experimental observations. We will describe how studies of the reactions of cobalt and nickel clusters with ammonia, water, and nitrogen provide important and otherwise unavailable structural information. Specifically, small (less than 20 atoms) clusters of cobalt and nickel atoms adopt entirely different structures, the former having packing characteristic of the bulk and the latter having pentagonal symmetry. These observations provide important input for model potentials that attempt to describe the local properties of transition metals. In particular, they point out the importance of a proper treatment of d-orbital binding in these systems, since cobalt and nickel differ so little in their d-orbital occupancy

Relativistic many-body theory a new field-theoretical approach

CERN Document Server

Lindgren, Ingvar

2016-01-01

This revised second edition of the author’s classic text offers readers a comprehensively updated review of relativistic atomic many-body theory, covering the many developments in the field since the publication of the original title.  In particular, a new final section extends the scope to cover the evaluation of QED effects for dynamical processes. The treatment of the book is based upon quantum-field theory, and demonstrates that when the procedure is carried to all orders of perturbation theory, two-particle systems are fully compatible with the relativistically covariant Bethe-Salpeter equation. This procedure can be applied to arbitrary open-shell systems, in analogy with the standard many-body theory, and it is also applicable to systems with more than two particles. Presently existing theoretical procedures for treating atomic systems are, in several cases, insufficient to explain the accurate experimental data recently obtained, particularly for highly charged ions. The main text is divided into...

On-line system for investigation of atomic structure

International Nuclear Information System (INIS)

Amus'ya, M.Ya.; Chernysheva, L.V.

1983-01-01

A description of the on-line ATOM system is presented that enables to investigate the structure of atomic electron shells and their interactions with different scattering particles-electrons, positronse photons, mesons - with the use of computerized numerical solutions. The problem is stated along with mathematical description of atomic properties including theoretical and numerical models for each investigated physical process. The ATOM system structure is considered. The Hartree-Fock method is used to determine the wave functions of the ground and excited atomic states. The programs are written in the ALGOL langauge. Different atomic characteristics were possible to be calculated for the first time with an accuracy exceeding an experimental one

Relativistic theory of electron-impact ionization

International Nuclear Information System (INIS)

Rosenberg, Leonard

2010-01-01

A relativistic version of an earlier, non-relativistic, formulation of the theory of ionization of an atomic system by electron impact is presented. With a time-independent resolvent operator taken as the basis for the dynamics, a wave equation is derived for a system with open channels consisting of two positive-energy electrons in an external field generated by the residual ion. Virtual intermediate states can be accounted for by the effective Hamiltonian that appears in the wave equation and which in principle may be constructed perturbatively. The asymptotic form of the wavefunction, modified by the effects of the long-range Coulomb interactions of the two electrons in the external field, is derived. These electrons are constrained, by projection operators which appear naturally in the theory, to propagate in positive-energy states only. The long-range Coulomb effects take the form of phase factors similar to those that are found in the non-relativistic version of the theory. With the boundary conditions established, an integral identity for the ionization amplitude is derived, and used to set up a distorted-wave Born expansion for the transition amplitude involving Coulomb-modified propagating waves.

Molecular type channeling of relativistic electrons in crystals

International Nuclear Information System (INIS)

Vyatkin, E.G.; Filimonov, Yu.M.; Taratin, A.M.; Vorobiev, S.A.

1983-01-01

Channeling of relativistic electrons in direction in a diamond crystal and the channeling radiation spectra are investigated using computer simulation by the binary collision model and using the model of a continuum potential of the atomic rows. In a computer experiment the atomic- and molecular-type states of channeled elcetrons are revealed, and the orientational dependence of the electron trapping probability in these states is obtained. The peculiarities revealed of the angular distributions and radiation spectra of electrons in the molecular-type states allow to discover these states in the experiment. (author)

Nonlinear dynamics of the relativistic standard map

International Nuclear Information System (INIS)

Nomura, Y.; Ichikawa, Y.H.; Horton, W.

1991-04-01

Heating and acceleration of charged particles by RF fields have been extensively investigated by the standard map. The question arises as to how the relativistic effects change the nonlinear dynamical behavior described by the classical standard map. The relativistic standard map is a two parameter (K, Β = ω/kc) family of dynamical systems reducing to the standard map when Β → 0. For Β ≠ 0 the relativistic mass increase suppresses the onset of stochasticity. It shown that the speed of light limits the rate of advance of the phase in the relativistic standard map and introduces KAM surfaces persisting in the high momentum region. An intricate structure of mixing in the higher order periodic orbits and chaotic orbits is analyzed using the symmetry properties of the relativistic standard map. The interchange of the stability of the periodic orbits in the relativistic standard map is also observed and is explained by the local linear stability of the orbits. 12 refs., 16 figs

Kinetic-energy density functional: Atoms and shell structure

International Nuclear Information System (INIS)

Garcia-Gonzalez, P.; Alvarellos, J.E.; Chacon, E.

1996-01-01

We present a nonlocal kinetic-energy functional which includes an anisotropic average of the density through a symmetrization procedure. This functional allows a better description of the nonlocal effects of the electron system. The main consequence of the symmetrization is the appearance of a clear shell structure in the atomic density profiles, obtained after the minimization of the total energy. Although previous results with some of the nonlocal kinetic functionals have given incipient structures for heavy atoms, only our functional shows a clear shell structure for most of the atoms. The atomic total energies have a good agreement with the exact calculations. Discussion of the chemical potential and the first ionization potential in atoms is included. The functional is also extended to spin-polarized systems. copyright 1996 The American Physical Society

Consideration of relativistic effects in band structure calculations based on the empirical tight-binding method

International Nuclear Information System (INIS)

Hanke, M.; Hennig, D.; Kaschte, A.; Koeppen, M.

1988-01-01

The energy band structure of cadmium telluride and mercury telluride materials is investigated by means of the tight-binding (TB) method considering relativistic effects and the spin-orbit interaction. Taking into account relativistic effects in the method is rather simple though the size of the Hamilton matrix doubles. Such considerations are necessary for the interesting small-interstice semiconductors, and the experimental results are reflected correctly in the band structures. The transformation behaviour of the eigenvectors within the Brillouin zone gets more complicated, but is, nevertheless, theoretically controllable. If, however, the matrix elements of the Green operator are to be calculated, one has to use formula manipulation programmes in particular for non-diagonal elements. For defect calculations by the Koster-Slater theory of scattering it is necessary to know these matrix elements. Knowledge of the transformation behaviour of eigenfunctions saves frequent diagonalization of the Hamilton matrix and thus permits a numerical solution of the problem. Corresponding results for the sp 3 basis are available

Relativistic Faddeev description of baryons and nucleon structure function in the NJL model

Energy Technology Data Exchange (ETDEWEB)

Bentz, W.; Mineo, H.; Asami, H.; Yazaki, K

2000-05-08

In this work we use the Nambu-Jona-Lasinio (NJL) model as an effective quark theory based on QCD to describe the structure of baryons. Based on the solutions of the relativistic 3-quark Faddeev equation in the ladder approximation, we discuss the masses of the nucleon and the delta, the static properties of the nucleon, and the quark light cone momentum distributions in the nucleon.

Polarization and Structure of Relativistic Parsec-Scale AGN Jets

International Nuclear Information System (INIS)

Lyutikov, M

2004-01-01

We consider the polarization properties of optically thin synchrotron radiation emitted by relativistically moving electron-positron jets carrying large-scale helical magnetic fields. In our model, the jet is cylindrical, and the emitting plasma moves parallel to the jet axis with a characteristic Lorentz factor Λ. We draw attention to the strong influence that the bulk relativistic motion of the emitting relativistic particles has on the observed polarization. Our computations predict and explain the following behavior. (1) For jets unresolved in the direction perpendicular to their direction of propagation, the position angle of the electric vector of the linear polarization has a bimodal distribution, being oriented either parallel or perpendicular to the jet. (2) If an ultra-relativistic jet with Λ >> 1 whose axis makes a small angle to the line of sight, θ ∼ 1/Λ, experiences a relatively small change in the direction of propagation, velocity or pitch angle of the magnetic fields, the polarization is likely to remain parallel or perpendicular; on the other hand, in some cases, the degree of polarization can exhibit large variations and the polarization position angle can experience abrupt 90 o changes. This change is more likely to occur in jets with flatter spectra. (3) In order for the jet polarization to be oriented along the jet axis, the intrinsic toroidal magnetic field (in the frame of the jet) should be of the order of or stronger than the intrinsic poloidal field; in this case, the highly relativistic motion of the jet implies that, in the observer's frame, the jet is strongly dominated by the toroidal magnetic field B φ /B z (ge) Λ. (4) The emission-weighted average pitch angle of the intrinsic helical field in the jet must not be too small to produce polarization along the jet axis. In force-free jets with a smooth distribution of emissivities, the emission should be generated in a limited range of radii not too close to the jet core. (5) For

The fully relativistic implementation of the convergent close-coupling method

International Nuclear Information System (INIS)

Bostock, Christopher James

2011-01-01

The calculation of accurate excitation and ionization cross sections for electron collisions with atoms and ions plays a fundamental role in atomic and molecular physics, laser physics, x-ray spectroscopy, plasma physics and chemistry. Within the veil of plasma physics lie important research areas affiliated with the lighting industry, nuclear fusion and astrophysics. For high energy projectiles or targets with a large atomic number it is presently understood that a scattering formalism based on the Dirac equation is required to incorporate relativistic effects. This tutorial outlines the development of the relativistic convergent close-coupling (RCCC) method and highlights the following three main accomplishments. (i) The inclusion of the Breit interaction, a relativistic correction to the Coulomb potential, in the RCCC method. This led to calculations that resolved a discrepancy between theory and experiment for the polarization of x-rays emitted by highly charged hydrogen-like ions excited by electron impact (Bostock et al 2009 Phys. Rev. A 80 052708). (ii) The extension of the RCCC method to accommodate two-electron and quasi-two-electron targets. The method was applied to electron scattering from mercury. Accurate plasma physics modelling of mercury-based fluorescent lamps requires detailed information on a large number of electron impact excitation cross sections involving transitions between various states (Bostock et al 2010 Phys. Rev. A 82 022713). (iii) The third accomplishment outlined in this tutorial is the restructuring of the RCCC computer code to utilize a hybrid OpenMP-MPI parallelization scheme which now enables the RCCC code to run on the latest high performance supercomputer architectures. (tutorial)

Relativistic coupled-cluster calculations of 20Ne, 40Ar, 84Kr, and 129Xe: Correlation energies and dipole polarizabilities

International Nuclear Information System (INIS)

Mani, B. K.; Angom, D.; Latha, K. V. P.

2009-01-01

We have carried out a detailed and systematic study of the correlation energies of inert gas atoms Ne, Ar, Kr, and Xe using relativistic many-body perturbation theory and relativistic coupled-cluster theory. In the relativistic coupled-cluster calculations, we implement perturbative triples and include these in the correlation energy calculations. We then calculate the dipole polarizability of the ground states using perturbed coupled-cluster theory.

Spectroscopy of two-electron atoms

International Nuclear Information System (INIS)

Desesquelles, J.

1988-01-01

Spectroscopy of heliumlike ions is discussed putting emphasis on mid and high Z atoms. Experimental aspects of ion charge, excitation production, clean spectra, and precise wavelength measurement are detailed. Recent results obtained at several laboratories including Lyon, Argonne, Notre-Dame, Oxford, Berkeley, Darmstadt, Paris, are used to test the QED contributions and higher order relativistic corrections to two-electron atom energies. (orig.)

Computation of electron-impact K-shell ionization cross sections of atoms

International Nuclear Information System (INIS)

Uddin, M.A.; Haque, A.K.F.; Billah, M. Masum; Basak, A.K.; Karim, K.R.; Saha, B.C.

2005-01-01

The total cross sections of electron impact single K-shell ionization of atomic targets, with a wide range of atomic numbers from Z=6-50, are evaluated in the energy range up to about 10 MeV employing the recently proposed modified version of the improved binary-encounter dipole (RQIBED) model [Uddin et al., Phys. Rev. A 70, 032706 (2004)], which incorporates the ionic and relativistic effects. The experimental cross sections for all targets are reproduced satisfactorily even in the relativistic energies using fixed generic values of the two parameters in the RQIBED model. The relativistic effect is found to be significant in all targets except for C, being profound in Ag and Sn

Relativistic and non-relativistic studies of nuclear matter

NARCIS (Netherlands)

Banerjee, MK; Tjon, JA

2002-01-01

We point out that the differences between the results of the non-relativistic lowest order Brueckner theory (LOBT) and the relativistic Dirac-Brueckner analysis predominantly arise from two sources. Besides effects from a nucleon mass modification M* in nuclear medium we have in a relativistic

Relativistic bound state approach to fundamental forces including gravitation

Directory of Open Access Journals (Sweden)

Morsch H.P.

2012-06-01

Full Text Available To describe the structure of particle bound states of nature, a relativistic bound state formalism is presented, which requires a Lagrangian including scalar coupling of two boson fields. The underlying mechanisms are quite complex and require an interplay of overlapping boson fields and fermion-antifermion production. This gives rise to two potentials, a boson-exchange potential and one identified with the long sought confinement potential in hadrons. With minimal requirements, two elementary massless fermions (quantons - with and without charge - and one gauge boson, hadrons and leptons but also atoms and gravitational systems are described by bound states with electric and magnetic coupling between the charges and spins of quantons. No need is found for colour, Higgs-coupling and supersymmetry.

Canonical analysis of non-relativistic particle and superparticle

Energy Technology Data Exchange (ETDEWEB)

Kluson, Josef [Masaryk University, Department of Theoretical Physics and Astrophysics, Faculty of Science, Brno (Czech Republic)

2018-02-15

We perform canonical analysis of non-relativistic particle in Newton-Cartan Background. Then we extend this analysis to the case of non-relativistic superparticle in the same background. We determine constraints structure of this theory and find generator of κ-symmetry. (orig.)

Diagnosing Students’ conception on atomic structure using open ended questions

Science.gov (United States)

Fitriza, Z.; Gazali, F.

2018-05-01

This study aims to diagnose students’ conception on atomic structure concepts using open ended questions. For this reason, a 7 items of assay test was administered to 135 senior high school students from different schools in West Sumatera. The data were collected using a an open ended test which is covering the concept used in the topic Atomic Structure. The open ended test of students’ conceptual was developed to identify the alternative conceptions that student might have regarding the concepts in Atomic Structure, to measure the level of students’ conceptions, and the way of students’ thinking concerning the concepts. The results showed that students find difficulties about some concepts of Atomic structure such as atom, atomic model, electron configuration, period and group.The result of this study illuminated the concepts to be underlined in developing teaching and learning approach concerning the topic of Atomic Structure.

Whispering gallery effect in relativistic optics

Science.gov (United States)

Abe, Y.; Law, K. F. F.; Korneev, Ph.; Fujioka, S.; Kojima, S.; Lee, S.-H.; Sakata, S.; Matsuo, K.; Oshima, A.; Morace, A.; Arikawa, Y.; Yogo, A.; Nakai, M.; Norimatsu, T.; d'Humières, E.; Santos, J. J.; Kondo, K.; Sunahara, A.; Gus'kov, S.; Tikhonchuk, V.

2018-03-01

relativistic laser pulse, confined in a cylindrical-like target, under specific conditions may perform multiple scattering along the internal target surface. This results in the confinement of the laser light, leading to a very efficient interaction. The demonstrated propagation of the laser pulse along the curved surface is just yet another example of the "whispering gallery" effect, although nonideal due to laser-plasma coupling. In the relativistic domain its important feature is a gradual intensity decrease, leading to changes in the interaction conditions. The proccess may pronounce itself in plenty of physical phenomena, including very efficient electron acceleration and generation of relativistic magnetized plasma structures.

Relativistic electron Wigner crystal formation in a cavity for electron acceleration

CERN Document Server

Thomas, Johannes; Pukhov, Alexander

2014-01-01

It is known that a gas of electrons in a uniform neutralizing background can crystallize and form a lattice if the electron density is less than a critical value. This crystallization may have two- or three-dimensional structure. Since the wake field potential in the highly-nonlinear-broken-wave regime (bubble regime) has the form of a cavity where the background electrons are evacuated from and only the positively charged ions remain, it is suited for crystallization of trapped and accelerated electron bunch. However, in this case, the crystal is moving relativistically and shows new three-dimensional structures that we call relativistic Wigner crystals. We analyze these structures using a relativistic Hamiltonian approach. We also check for stability and phase transitions of the relativistic Wigner crystals.

Electron correlation within the relativistic no-pair approximation

DEFF Research Database (Denmark)

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

2016-01-01

and that this is possible by full Multiconfigurational Self-Consistent Field (MCSCF) calculations, that is, MCSCF calculations using a no-pair full CI expansion, but including orbital relaxation from the negative-energy orbitals. We show by variational perturbation theory that the MCSCF correlation energy is a pure MP2....... The well-known 1/Z- expansion in nonrelativistic atomic theory follows from coordinate scaling. We point out that coordinate scaling for consistency should be accompanied by velocity scaling. In the nonrelativistic domain this comes about automatically, whereas in the relativistic domain an explicit...... scaling of the speed of light is required. This in turn explains why the relativistic correlation energy to the lowest order is not independent of nuclear charge, in contrast to nonrelativistic theory....

Metastable states in antiprotonic helium atoms an island stability in a sea of continuum

CERN Document Server

Korobov, V I

2002-01-01

In this contribution we consider a phenomenon of metastable states in antiprotonic helium atoms, precise spectroscopy of these states and a present-day study of the electromagnetic properties of antiprotons. Calculation of nonrelativistic energies, relativistic and QED corrections as well as the fine and hyperfine structure and the magnetic moment of an antiproton are the main parts of this study. Refs. 22 (nevyjel)

Relativistic electron-atom scattering in an extremely powerful laser field: Relevance of spin effects

International Nuclear Information System (INIS)

Panek, P.; Kaminski, J.Z.; Ehlotzky, F.

2002-01-01

We reconsider the relativistic scattering of electrons by an atom, being approximated by a static potential, in an extremely powerful electromagnetic plane wave of frequency ω and linear polarization ε. Since to a first order of approximation spin effects can be neglected, we first describe the scattered electron by the Gordon solution of the Klein-Gordon equation. Then we investigate the same scattering process by including the spin effects, using for the electron the Volkov solution of the Dirac equation. For sufficiently energetic electrons, the first-order Born approximation can be employed to represent the corresponding scattering matrix element. We compare the results of the differential cross sections of induced and inverse bremsstrahlung, evaluated from both approximations, for various parameter values and angular configurations and we find that in most cases the spin effects are marginal, even at very high laser power. On the other hand, we recover the various asymmetries in the angular distributions of the scattered electrons and their respective energies due to the laser-induced drift motion of the electrons in the direction of propagation of the radiation field, thus confirming the findings of our previous work [Phys. Rev. A 59, 2105 (1999); Laser Physics 10, 163 (2000)

The relativistic atomic many-body problem

International Nuclear Information System (INIS)

Brown, G.E.

1987-01-01

Problems connected with the infinite negative energy sea of electrons in the atomic many-body problem are discussed. It is shown that as long as one works in mean-field approximations, wave functions do not need to suffer from continuum dissociation. Various effects from virtual pairs in the wave functions are discussed. (orig.)

Report on atomic structure research 1961-1990

International Nuclear Information System (INIS)

Fawcett, B.C.

1990-07-01

This report documents the atomic-structure research carried out during the period 1961-90. The contributions are in two main areas. The first comprises original line classifications of spectra of highly ionized atoms including identifications of a major proportion of newly observed lines in the solar far ultraviolet and soft X-ray spectrum. The second consists of theoretical calculations of atomic data such as oscillator strengths, wavelengths, energy levels and their composition. These were calculated with advanced atomic-structure codes and cover most solar abundant ions. A new method was applied to collision calculations. Research in this field, presently conducted at Rutherford Appleton Laboratory (RAL), was initiated in the United Kingdom Atomic Energy Authority (UKAEA) at Harwell in 1960. It continued under the UKAEA at Culham Laboratory in 1962 and until 1986 when staff were taken over by Science and Engineering Research Council (SERC) and later transferred to RAL in 1981. (author)

Microsolvation of methylmercury: structures, energies, bonding and NMR constants ((199)Hg, (13)C and (17)O).

Science.gov (United States)

Flórez, Edison; Maldonado, Alejandro F; Aucar, Gustavo A; David, Jorge; Restrepo, Albeiro

2016-01-21

Hartree-Fock (HF) and second order perturbation theory (MP2) calculations within the scalar and full relativistic frames were carried out in order to determine the equilibrium geometries and interaction energies between cationic methylmercury (CH3Hg(+)) and up to three water molecules. A total of nine structures were obtained. Bonding properties were analyzed using the Quantum Theory of Atoms In Molecules (QTAIM). The analyses of the topology of electron densities reveal that all structures exhibit a partially covalent HgO interaction between methylmercury and one water molecule. Consideration of additional water molecules suggests that they solvate the (CH3HgOH2)(+) unit. Nuclear magnetic shielding constants σ((199)Hg), σ((13)C) and σ((17)O), as well as indirect spin-spin coupling constants J((199)Hg-(13)C), J((199)Hg-(17)O) and J((13)C-(17)O), were calculated for each one of the geometries. Thermodynamic stability and the values of NMR constants correlate with the ability of the system to directly coordinate oxygen atoms of water molecules to the mercury atom in methylmercury and with the formation of hydrogen bonds among solvating water molecules. Relativistic effects account for 11% on σ((13)C) and 14% on σ((17)O), which is due to the presence of Hg (heavy atom on light atom, HALA effect), while the relativistic effects on σ((199)Hg) are close to 50% (heavy atom on heavy atom itself, HAHA effect). J-coupling constants are highly influenced by relativity when mercury is involved as in J((199)Hg-(13)C) and J((199)Hg-(17)O). On the other hand, our results show that the values of NMR constants for carbon and oxygen, atoms which are connected through mercury (C-HgO), are highly correlated and are greatly influenced by the presence of water molecules. Water molecules introduce additional electronic effects to the relativistic effects due to the mercury atom.

The Einstein A-coefficient of spontaneous emission: A relativistic calculation in the Heisenberg representation

International Nuclear Information System (INIS)

Barut, A.O.; Salamin, Y.I.

1989-07-01

We present a simple approach to the relativistic calculation of the rates of spontaneous emission starting from the Heisenberg picture formula for the power radiated by a charged particle undergoing acceleration, and evaluate atomic decay rates using relativistic Dirac-Coulomb wavefunctions. The spin of the electron, embedded in its relativistic wavefunction, is shown to correctly provide the two polarization states of the emitted radiation. We discuss selection rules and calculate the Hydrogen 2 P → 1 S transition rate, among others, to be Γ = (6.2650 ± 0.0007)x10 8 s -1 in good agreement with the full field theory calculation as well as with experiment. (author). 14 refs

Effective interaction for relativistic mean-field theories of nuclear structure

International Nuclear Information System (INIS)

Ai, H.B.; Celenza, L.S.; Harindranath, A.; Shakin, C.M.

1987-01-01

We construct an effective interaction, which when treated in a relativistic Hartree-Fock approximation, reproduces rather accurately the nucleon self-energy in nuclear matter and the Migdal parameters obtained via relativistic Brueckner-Hartree-Fock calculations. This effective interaction is constructed by adding Born terms, describing the exchange of pseudoparticles, to the Born terms of the Dirac-Hartree-Fock analysis. The pseudoparticles have relatively large masses and either real or imaginary coupling constants. (For example, exchange of a pseudo-sigma with an imaginary coupling constant has the effect of reducing the scalar attraction arising from sigma exchange while exchange of a pseudo-omega with an imaginary coupling constant has the effect of reducing the repulsion arising from omega exchange. The terms beyond the Born term in the case of pion exchange are well simulated by pseudo-sigma exchange with a real coupling constant.) The effective interaction constructed here may be used for calculations of the properties of finite nuclei in a relativistic Hartree-Fock approximation

Optimising the measurement of relativistic distortions in large-scale structure

CERN Document Server

Bonvin, Camille; Gaztanaga, Enrique

2016-01-01

It has been shown recently that relativistic distortions generate a dipolar modulation in the two-point correlation function of galaxies. To measure this relativistic dipole it is necessary to cross-correlate different populations of galaxies with for example different luminosities or colours. In this paper, we construct an optimal estimator to measure the dipole with multiple populations. We show that this estimator increases the signal-to-noise of the dipole by up to 35 percent. Using 6 populations of galaxies, in a survey with halos and number densities similar to those of the millennium simulation, we forecast a cumulative signal-to-noise of 4.4. For the main galaxy sample of SDSS at low redshift z<0.2 our optimal estimator predicts a cumulative signal-to-noise of 2.4. Finally we forecast a cumulative signal-to-noise of 7.4 in the upcoming DESI survey. These forecasts indicate that with the appropriate choice of estimator the relativistic dipole should be detectable in current and future surveys.

First spatial isotopic separation of relativistic uranium projectile fragments

International Nuclear Information System (INIS)

Magel, A.; Voss, B.; Armbruster, P.; Aumann, T.; Clerc, H.G.; Czajkowski, S.; Folger, H.; Grewe, A.; Hanelt, E.; Heinz, A.; Irnich, H.; Jong, M. de; Junghans, A.; Nickel, F.; Pfuetzner, M.; Roehl, C.; Scheidenberger, C.; Schmidt, K.H.; Schwab, W.; Steinhaeuser, S.; Suemmerer, K.; Trinder, W.; Wollnik, H.

1994-07-01

Spatial isotopic separation of relativistic uranium projectile fragments has been achieved for the first time. The fragments were produced in peripheral nuclear collisions and spatially separated in-flight with the fragment separator FRS at GSI. A two-fold magnetic-rigidity analysis was applied exploiting the atomic energy loss in specially shaped matter placed in the dispersive central focal plane. Systematic investigations with relativistic projectiles ranging from oxygen up to uranium demonstrate that the FRS is a universal and powerful facility for the production and in-flight separation of monoisotopic, exotic secondary beams of all elements up to Z=92. This achievement has opened a new area in heavy-ion research and applications. (orig.)

A relativistic point coupling model for nuclear structure calculations

International Nuclear Information System (INIS)

Buervenich, T.; Maruhn, J.A.; Madland, D.G.; Reinhard, P.G.

2002-01-01

A relativistic point coupling model is discussed focusing on a variety of aspects. In addition to the coupling using various bilinear Dirac invariants, derivative terms are also included to simulate finite-range effects. The formalism is presented for nuclear structure calculations of ground state properties of nuclei in the Hartree and Hartree-Fock approximations. Different fitting strategies for the determination of the parameters have been applied and the quality of the fit obtainable in this model is discussed. The model is then compared more generally to other mean-field approaches both formally and in the context of applications to ground-state properties of known and superheavy nuclei. Perspectives for further extensions such as an exact treatment of the exchange terms using a higher-order Fierz transformation are discussed briefly. (author)

Wavefunction and energy of the 1s22sns configuration in a beryllium atom

International Nuclear Information System (INIS)

Huang Shizhong; Ma Kun; Yu Jiaming; Liu Fen

2008-01-01

A new set of trial functions for 1s 2 2sns configurations in a beryllium atom is suggested. A Mathematica program based on the variational method is developed to calculate the wavefunctions and energies of 1s 2 2sns (n = 3–6) configurations in a beryllium atom. Non-relativistic energy, polarization correction and relativistic correction which include mass correction, one-and two-body Darwin corrections, spin-spin contact interaction and orbit-orbit interaction, are calculated respectively. The results are in good agreement with experimental data. (atomic and molecular physics)

Semiempirical studies of atomic structure. Progress report, 1 July 1980 to 30 June 1982

International Nuclear Information System (INIS)

Curtis, L.J.

1982-01-01

A program of semiempirical studies of the properties of the very heavy and very highly ionized atomic systems which often occur as contaminants in controlled fusion devices is being carried out. The high precision requirements for spectroscopic analysis of these systems can exceed the capabilities of present ab initio theoretical methods, but semiempirical approaches have been found that provide very accurate predictions. Empirical model parametrizations of existing data have revealed unexpected linearities that have been exploited to make extensive predictions along isoelectronic and homologous sequences. These empirical regularities also provide insight into the theoretical approximations that can be applied to these extremely relativistic atomic systems. Experimental measurements of the semiempirical predictions are carried out as part of the program, both to test the methods and to enlarge the data base

A classical treatment of the quadratic Zeeman effect in atomic hydrogen

Science.gov (United States)

Al-Laithy, M. A.; Farmer, C. M.; McDowell, M. R. C.

1985-03-01

A description of the non-relativistic classical motion of the electron of a hydrogen atom in the presence of a static magnetic field of arbitrary (non-relativistic) strength is given for arbitrary angular momentum. Applications are given to m = 0 and m = 3 at B = 26.877 kG.

Electronic excitation in transmission of relativistic H- ions through thin foils

International Nuclear Information System (INIS)

Reinhold, C.O.; Kuerpick, P.; Burgdoerfer, J.; Yoshida, S.

1998-01-01

The authors describe a theoretical model to study the transmission of relativistic H - ions through thin carbon foils. The approach is based on a Monte Carlo solution of the Langevin equation describing electronic excitations of the atoms during the transport through the foil. Calculations for the subshell populations of outgoing hydrogen atoms are found to be in good agreement with recent experimental data on an absolute scale and show that there exists a propensity for populating extreme Stark states

Relativistic klystrons

International Nuclear Information System (INIS)

Allen, M.A.; Azuma, O.; Callin, R.S.

1989-03-01

Experimental work is underway by a SLAC-LLNL-LBL collaboration to investigate the feasibility of using relativistic klystrons as a power source for future high gradient accelerators. Two different relativistic klystron configurations have been built and tested to date: a high grain multicavity klystron at 11.4 GHz and a low gain two cavity subharmonic buncher driven at 5.7 GHz. In both configurations power is extracted at 11.4 GHz. In order to understand the basic physics issues involved in extracting RF from a high power beam, we have used both a single resonant cavity and a multi-cell traveling wave structure for energy extraction. We have learned how to overcome our previously reported problem of high power RF pulse shortening, and have achieved peak RF power levels of 170 MW with the RF pulse of the same duration as the beam current pulse. 6 refs., 3 figs., 3 tabs

Relativistic nucleus-nucleus collisions: Zone of reactions and space-time structure of fireball

International Nuclear Information System (INIS)

Anchishkin, D.; Muskeyev, A.; Yezhov, S.

2010-01-01

A zone of reactions is determined and then exploited as a tool in studying the space-time structure of an interacting system formed in a collision of relativistic nuclei. The time dependence of the reaction rates integrated over spatial coordinates is also considered. Evaluations are made with the help of the microscopic transport model UrQMD. The relation of the boundaries of different zones of reactions and the hypersurfaces of sharp chemical and kinetic freeze-outs is discussed.

Relativistic effects in atomic inner-shell transitions

International Nuclear Information System (INIS)

Chen, M.H.

1982-01-01

Theoretical calculations of atomic inner-shell transition rates based on independent-particle models are reviewed. Factors affecting inner-shell transition rates are examined, particularly the effects of relativity. 48 references, 5 figures

Relativistic equations

International Nuclear Information System (INIS)

Gross, F.

1986-01-01

Relativistic equations for two and three body scattering are discussed. Particular attention is paid to relativistic three body kinetics because of recent form factor measurements of the Helium 3 - Hydrogen 3 system recently completed at Saclay and Bates and the accompanying speculation that relativistic effects are important for understanding the three nucleon system. 16 refs., 4 figs

Optimising the measurement of relativistic distortions in large-scale structure

Energy Technology Data Exchange (ETDEWEB)

Bonvin, Camille [CERN, Theory Division, 1211 Geneva (Switzerland); Hui, Lam [Institute for Strings, Cosmology and Astroparticle Physics and Department of Physics, Columbia University, New York, NY 10027 (United States); Gaztanaga, Enrique, E-mail: camille.bonvin@unige.ch, E-mail: lhui@astro.columbia.edu, E-mail: gazta@ice.cat [Institut de Ciències de l' Espai (IEEC-CSIC), F. Ciències, C5 2-par, Bellaterra, Barcelona 08193 (Spain)

2016-08-01

It has been shown recently that relativistic distortions generate a dipolar modulation in the two-point correlation function of galaxies. To measure this relativistic dipole it is necessary to cross-correlate different populations of galaxies with for example different luminosities or colours. In this paper, we construct an optimal estimator to measure the dipole with multiple populations. We show that this estimator increases the signal-to-noise of the dipole by up to 35 percent. Using 6 populations of galaxies, in a survey with halos and number densities similar to those of the millennium simulation, we forecast a cumulative signal-to-noise of 4.4. For the main galaxy sample of SDSS at low redshift z ≤ 0.2 our optimal estimator predicts a cumulative signal-to-noise of 2.4. Finally we forecast a cumulative signal-to-noise of 7.4 in the upcoming DESI survey. These forecasts indicate that with the appropriate choice of estimator the relativistic dipole should be detectable in current and future surveys.

Study of the O-mode in a relativistic degenerate electron plasma

Science.gov (United States)

Azra, Kalsoom; Ali, Muddasir; Hussain, Azhar

2017-03-01

Using the linearized relativistic Vlasov-Maxwell equations, a generalized expression for the plasma conductivity tensor is derived. The dispersion relation for the O-mode in a relativistic degenerate electron plasma is investigated by employing the Fermi-Dirac distribution function. The propagation characteristics of the O-mode (cut offs, resonances, propagation regimes, harmonic structure) are examined by using specific values of the density and the magnetic field that correspond to different relativistic dense environments. Further, it is observed that due to the relativistic effects the cut off and the resonance points are shifted to low frequency values, as a result the propagation regime is reduced. The dispersion relations for the non-relativistic and the ultra-relativistic limits are also presented.

Atomic Decay Data for Modeling K Lines of Iron Peak and Light Odd-Z Elements*

Science.gov (United States)

Palmeri, P.; Quinet, P.; Mendoza, C.; Bautista, M. A.; Garcia, J.; Witthoeft, M. C.; Kallman, T. R.

2012-01-01

Complete data sets of level energies, transition wavelengths, A-values, radiative and Auger widths and fluorescence yields for K-vacancy levels of the F, Na, P, Cl, K, Sc, Ti, V, Cr, Mn, Co, Cu and Zn isonuclear sequences have been computed by a Hartree-Fock method that includes relativistic corrections as implemented in Cowan's atomic structure computer suite. The atomic parameters for more than 3 million fine-structure K lines have been determined. Ions with electron number N greater than 9 are treated for the first time, and detailed comparisons with available measurements and theoretical data for ions with N less than or equal to 9 are carried out in order to estimate reliable accuracy ratings.

K-shell excitation studied for H- and He-like bismuth ions in collisions with low-z target atoms

International Nuclear Information System (INIS)

Stoehlker, T.; Bosch, F.; Geissel, H.; Kozhuharov, C.; Ludziejewski, T.; Mokler, P.H.; Scheidenberger, C.; Stachura, Z.; Warczak, A.

1997-09-01

The formation of excited projectile states via Coulomb excitation is investigated for hydrogen- and helium-like bismuth projectiles (Z=83) in relativistic ion-atom collisions. The excitation process was unambiguously identified by observing the radiative decay of the excited levels to the vacant 1s shell in coincidence with ions that did not undergo charge exchange in the reaction target. In particular, owing to the large fine structure splitting of Bi, the excitation cross-sections to the various L-shell sublevels are determined separately. The results are compared with detailed relativistic calculations, showing that both the relativistic character of the bound-state wave-functions and the magnetic interaction are of considerable importance for the K-shell excitation process in high-Z ions like Bi. The experimental data confirm the result of the complete relativistic calculations, namely that the magnetic part of the Lienard-Wiechert interaction leads to a significant reduction of the K-shell excitation cross-section. (orig.)

Challenges and opportunities for atomic physics at FAIR: The new GSI accelerator project

Energy Technology Data Exchange (ETDEWEB)

Hagmann, S. [Institut f. Kernphysik, University of Frankfurt (Germany) and GSI, Max Planckstr.1, Darmstadt (Germany)]. E-mail: s.hagmann@gsi.de; Beyer, H.F. [GSI, Max Planckstr.1, Darmstadt (Germany); Bosch, F. [GSI, Max Planckstr.1, Darmstadt (Germany); Braeuning-Demian, A. [GSI, Max Planckstr.1, Darmstadt (Germany); Kluge, H.-J. [GSI, Max Planckstr.1, Darmstadt (Germany); Kozhuharov, Ch. [GSI, Max Planckstr.1, Darmstadt (Germany); Kuehl, Th. [GSI, Max Planckstr.1, Darmstadt (Germany); Liesen, D. [GSI, Max Planckstr.1, Darmstadt (Germany); Stoehlker, Th. [GSI, Max Planckstr.1, Darmstadt (Germany); Ullrich, J. [Max Planck Inst. f. Kernphysik, Heidelberg (Germany); Moshammer, R. [Max Planck Inst. f. Kernphysik, Heidelberg (Germany); Mann, R. [GSI, Max Planckstr.1, Darmstadt (Germany); Mokler, P. [GSI, Max Planckstr.1, Darmstadt (Germany); Quint, W. [GSI, Max Planckstr.1, Darmstadt (Germany); Schuch, R. [Department of Physics, University of Stockholm (Sweden); Warczak, A. [Department of Physics, University of Cracow (Poland)

2005-12-15

We present a short overview of the current status of the new accelerator project FAIR at GSI with the new double synchrotron rings and the multi-storage rings. The key features of the new facility, which provides intense relativistic beams of stable and unstable nuclei, are introduced and their relation to the anticipated experimental programs in nuclear structure physics and antiproton physics is shown. The main emphasis in this overview is given to the atomic physics program with unique opportunities which will be provided e.g. by bare U{sup 92+} ions with kinetic energies continuously variable between relativistic energies corresponding to {gamma} up to {approx_equal}35 down to kinetic energies of such ions in traps corresponding to fractions of a Kelvin.

Structure and stability of semiconductor tip apexes for atomic force microscopy

International Nuclear Information System (INIS)

Pou, P; Perez, R; Ghasemi, S A; Goedecker, S; Jelinek, P; Lenosky, T

2009-01-01

The short range force between the tip and the surface atoms, that is responsible for atomic-scale contrast in atomic force microscopy (AFM), is mainly controlled by the tip apex. Thus, the ability to image, manipulate and chemically identify single atoms in semiconductor surfaces is ultimately determined by the apex structure and its composition. Here we present a detailed and systematic study of the most common structures that can be expected at the apex of the Si tips used in experiments. We tackle the determination of the structure and stability of Si tips with three different approaches: (i) first principles simulations of small tip apexes; (ii) simulated annealing of a Si cluster; and (iii) a minima hopping study of large Si tips. We have probed the tip apexes by making atomic contacts between the tips and then compared force-distance curves with the experimental short range forces obtained with dynamic force spectroscopy. The main conclusion is that although there are multiple stable solutions for the atomically sharp tip apexes, they can be grouped into a few types with characteristic atomic structures and properties. We also show that the structure of the last atomic layers in a tip apex can be both crystalline and amorphous. We corroborate that the atomically sharp tips are thermodynamically stable and that the tip-surface interaction helps to produce the atomic protrusion needed to get atomic resolution.

Relativistic Coupled Cluster (RCC) Computation of the Electric Dipole Moment Enhancement Factor of Francium Due to the Violation of Time Reversal Symmetry

NARCIS (Netherlands)

Mukherjee, Debashis; Sahoo, B. K.; Nataraj, H. S.; Das, B. P.

2009-01-01

A relativistic many-body theory for the electric dipole moment (EDM) of paramagnetic atoms arising from the electric dipole moment of the electron is presented and implemented. The relativistic coupled-cluster method with single and double excitations (RCCSD) using the Dirac-Coulomb Hamiltonian and

Relativistic few body calculations

International Nuclear Information System (INIS)

Gross, F.

1988-01-01

A modern treatment of the nuclear few-body problem must take into account both the quark structure of baryons and mesons, which should be important at short range, and the relativistic exchange of mesons, which describes the long range, peripheral interactions. A way to model both of these aspects is described. The long range, peripheral interactions are calculated using the spectator model, a general approach in which the spectators to nucleon interactions are put on their mass-shell. Recent numerical results for a relativistic OBE model of the NN interaction, obtained by solving a relativistic equation with one-particle on mass-shell, will be presented and discussed. Two meson exchange models, one with only four mesons (π,σ,/rho/,ω) but with a 25% admixture of γ 5 coupling for the pion, and a second with six mesons (π,σ,/rho/,ω,δ,/eta/) but pure γ 5 γ/sup μ/ pion coupling, are shown to give very good quantitative fits to the NN scattering phase shifts below 400 MeV, and also a good description of the /rvec p/ 40 Ca elastic scattering observables. Applications of this model to electromagnetic interactions of the two body system, with emphasis on the determination of relativistic current operators consistent with the dynamics and the exact treatment of current conservation in the presence of phenomenological form factors, will be described. 18 refs., 8 figs

Theoretical development of atomic structure: Past, present and future

International Nuclear Information System (INIS)

Tiwary, S.N.

1994-11-01

Theoretical development of atomic structure is briefly discussed. The role of correlation, relativity, quantum electrodynamic (QED), finite nuclear size (FNS) and parity nonconservation (PNC) in high precision theoretical investigation of properties of atomic and ionic systems is demonstrated. At present, we do not have a comprehensive and practical atomic structure theory which accounts all these physical effects on an equal footing. Suggestions are made for future directions. (author). 108 refs, 5 figs, 9 tabs

Exploring electronic structure of one-atom thick polycrystalline graphene films: A nano angle resolved photoemission study

Science.gov (United States)

Avila, José; Razado, Ivy; Lorcy, Stéphane; Fleurier, Romain; Pichonat, Emmanuelle; Vignaud, Dominique; Wallart, Xavier; Asensio, María C.

2013-01-01

The ability to produce large, continuous and defect free films of graphene is presently a major challenge for multiple applications. Even though the scalability of graphene films is closely associated to a manifest polycrystalline character, only a few numbers of experiments have explored so far the electronic structure down to single graphene grains. Here we report a high resolution angle and lateral resolved photoelectron spectroscopy (nano-ARPES) study of one-atom thick graphene films on thin copper foils synthesized by chemical vapor deposition. Our results show the robustness of the Dirac relativistic-like electronic spectrum as a function of the size, shape and orientation of the single-crystal pristine grains in the graphene films investigated. Moreover, by mapping grain by grain the electronic dynamics of this unique Dirac system, we show that the single-grain gap-size is 80% smaller than the multi-grain gap recently reported by classical ARPES. PMID:23942471

Large-scale atomic calculations using variational methods

International Nuclear Information System (INIS)

Joensson, Per.

1995-01-01

Atomic properties, such as radiative lifetimes, hyperfine structures and isotope shift, have been studied both theoretically and experimentally. Computer programs which calculate these properties from multiconfiguration Hartree-Fock (MCHF) and configuration interaction (CI) wave functions have been developed and tested. To study relativistic effects, a program which calculates hyperfine structures from multiconfiguration Dirac-Fock (MCDF) wave functions has also been written. A new method of dealing with radial non-orthogonalities in transition matrix elements has been investigated. This method allows two separate orbital sets to be used for the initial and final states, respectively. It is shown that, once the usual orthogonality restrictions have been overcome, systematic MCHF calculations are able to predict oscillator strengths in light atoms with high accuracy. In connection with recent high-power laser experiments, time-dependent calculations of the atomic response to intense laser fields have been performed. Using the frozen-core approximation, where the atom is modeled as an active electron moving in the average field of the core electrons and the nucleus, the active electron has been propagated in time under the influence of the laser field. Radiative lifetimes and hyperfine structures of excited states in sodium and silver have been experimentally determined using time-resolved laser spectroscopy. By recording the fluorescence light decay following laser excitation in the vacuum ultraviolet spectral region, the radiative lifetimes and hyperfine structures of the 7p 2 P states in silver have been measured. The delayed-coincidence technique has been used to make very accurate measurements of the radiative lifetimes and hyperfine structures of the lowest 2P states in sodium and silver. 77 refs, 2 figs, 14 tabs

Large-scale atomic calculations using variational methods

Energy Technology Data Exchange (ETDEWEB)

Joensson, Per

1995-01-01

Atomic properties, such as radiative lifetimes, hyperfine structures and isotope shift, have been studied both theoretically and experimentally. Computer programs which calculate these properties from multiconfiguration Hartree-Fock (MCHF) and configuration interaction (CI) wave functions have been developed and tested. To study relativistic effects, a program which calculates hyperfine structures from multiconfiguration Dirac-Fock (MCDF) wave functions has also been written. A new method of dealing with radial non-orthogonalities in transition matrix elements has been investigated. This method allows two separate orbital sets to be used for the initial and final states, respectively. It is shown that, once the usual orthogonality restrictions have been overcome, systematic MCHF calculations are able to predict oscillator strengths in light atoms with high accuracy. In connection with recent high-power laser experiments, time-dependent calculations of the atomic response to intense laser fields have been performed. Using the frozen-core approximation, where the atom is modeled as an active electron moving in the average field of the core electrons and the nucleus, the active electron has been propagated in time under the influence of the laser field. Radiative lifetimes and hyperfine structures of excited states in sodium and silver have been experimentally determined using time-resolved laser spectroscopy. By recording the fluorescence light decay following laser excitation in the vacuum ultraviolet spectral region, the radiative lifetimes and hyperfine structures of the 7p{sup 2}P states in silver have been measured. The delayed-coincidence technique has been used to make very accurate measurements of the radiative lifetimes and hyperfine structures of the lowest 2P states in sodium and silver. 77 refs, 2 figs, 14 tabs.

Point form relativistic quantum mechanics and relativistic SU(6)

Science.gov (United States)

Klink, W. H.

1993-01-01

The point form is used as a framework for formulating a relativistic quantum mechanics, with the mass operator carrying the interactions of underlying constituents. A symplectic Lie algebra of mass operators is introduced from which a relativistic harmonic oscillator mass operator is formed. Mass splittings within the degenerate harmonic oscillator levels arise from relativistically invariant spin-spin, spin-orbit, and tensor mass operators. Internal flavor (and color) symmetries are introduced which make it possible to formulate a relativistic SU(6) model of baryons (and mesons). Careful attention is paid to the permutation symmetry properties of the hadronic wave functions, which are written as polynomials in Bargmann spaces.

Cross-section studies of relativistic deuteron reactions on copper by activation method

Czech Academy of Sciences Publication Activity Database

Suchopár, Martin; Wagner, Vladimír; Svoboda, Ondřej; Vrzalová, Jitka; Chudoba, Petr; Kugler, Andrej; Adam, Jindřich; Závorka, L.; Baldine, A.; Furman, W.; Kadykov, M. G.; Khushvaktov, J.; Solnyshkin, A. A.; Tsoupko-Sitnikov, V. V.; Tyutyunnikov, S. I.

2015-01-01

Roč. 344, FEB (2015), s. 63-69 ISSN 0168-583X R&D Projects: GA MŠk LG14004 Institutional support: RVO:61389005 Keywords : relativistic deuteron reactions * cross-sections * copper Subject RIV: BG - Nuclear , Atomic and Molecular Physics, Colliders Impact factor: 1.389, year: 2015

Relativistic Hartree-Bogoliubov description of thorium and uranium isotopes

International Nuclear Information System (INIS)

Naz, Tabassum; Ahmad, Shakeb

2016-01-01

The relativistic Hartree-Bogoliubov (RHB) theory is a relativistic extension of the Hartree-Fock- Bogoliubov theory. It is a unified description of mean-field and pairing correlations and successfully describe the various phenomenon of nuclear structure. In the present work, RHB is applied to study the thorium and uranium isotopes

Relativistic Energy Density Functionals: Exotic modes of excitation

International Nuclear Information System (INIS)

Vretenar, D.; Paar, N.; Marketin, T.

2008-01-01

The framework of relativistic energy density functionals has been applied to the description of a variety of nuclear structure phenomena, not only in spherical and deformed nuclei along the valley of β-stability, but also in exotic systems with extreme isospin values and close to the particle drip-lines. Dynamical aspects of exotic nuclear structure have been investigated with the relativistic quasiparticle random-phase approximation. We present results for the evolution of low-lying dipole (pygmy) strength in neutron-rich nuclei, and charged-current neutrino-nucleus cross sections.

Inelastic Processes in the Interaction of an Atom with an Ultrashort Electromagnetic Pulse

International Nuclear Information System (INIS)

Matveev, V.I.; Gusarevich, E.S.; Pashev, I.N.

2005-01-01

Electron transitions occurring during the interaction of a heavy relativistic atom with a spatially inhomogeneous ultrashort electromagnetic pulse are considered by solving the Dirac equation. The corresponding transition probabilities are expressed in terms of known inelastic atomic form factors, which are widely used in the theory of relativistic collisions between charged particles and atoms. By way of example, the inelastic processes accompanying the interaction of ultrashort pulses with hydrogen-like atoms are considered. The probabilities of ionization and production of a bound-free electron-positron pair on a bare nucleus, which are accompanied by the formation of a hydrogen-like atom in the final state and a positron in the continuum, are calculated. The developed technique makes it possible to take into account exactly not only the spatial inhomogeneity of an ultrashort electromagnetic pulse, but also the magnetic interaction

On the spontaneous radiative decay of a moving atom

International Nuclear Information System (INIS)

Voitkiv, A B; Najjari, B; Ullrich, J

2007-01-01

We consider the relationship between the spontaneous radiative decay of an atom at rest and of an atom moving with a constant velocity. Based on the relativistic form, A μ j μ , of the field-current interaction we analyse two situations. In the first of them the radiative decay of a single atom is considered by using two different reference frames. In the second, a single reference frame is used to describe the radiative decay of two identical atoms, one of which is at rest in this frame and the other one moves with a constant velocity. Although in special relativity only the relative velocity between a source and an observer matters, there are subtle differences in the analysis of these situations: within the framework of the first situation one deals only with the Lorentz transformation, which is insensitive to whether exact or approximate atomic wave functions are used in the analysis, whereas the analysis of the second situation involves a gauge transformation which in general is not compatible with using approximate atomic wave functions. We have also shown that this gauge transformation can be used as a test for the accuracy of approximate atomic states obtained in atomic structure calculations

An intrinsic representation of atomic structure: From clusters to periodic systems

Science.gov (United States)

Li, Xiao-Tian; Xu, Shao-Gang; Yang, Xiao-Bao; Zhao, Yu-Jun

2017-10-01

We have improved our distance matrix and eigen-subspace projection function (EPF) [X.-T. Li et al., J. Chem. Phys. 146, 154108 (2017)] to describe the atomic structure for periodic systems. Depicting the local structure of an atom, the EPF turns out to be invariant with respect to the choices of the unit cell and coordinate frame, leading to an intrinsic representation of the crystal with a set of EPFs of the nontrivial atoms. The difference of EPFs reveals the difference of atoms in local structure, while the accumulated difference between two sets of EPFs can be taken as the distance between configurations. Exemplified with the cases of carbon allotropes and boron sheets, our EPF approach shows exceptional rationality and efficiency to distinguish the atomic structures, which is crucial in structure recognition, comparison, and analysis.

Relativistic impulse approximation and deuteron spin structure

International Nuclear Information System (INIS)

Tokarev, M.V.

1992-01-01

The fragmentation processes were considered of tensor- and vector-polarized deuterons to protons in the framework of the covariant approach in the light cone variables on the basis of the relativistic deuteron wave function with one nucleon on-mass shell. The experimental verification of predicted dependences of T 20 and K is of interest for the research of the momentum and spin distributions of high momentum deuteron constituents. 21 refs.; 6 figs

Dopant distributions in n-MOSFET structure observed by atom probe tomography

International Nuclear Information System (INIS)

Inoue, K.; Yano, F.; Nishida, A.; Takamizawa, H.; Tsunomura, T.; Nagai, Y.; Hasegawa, M.

2009-01-01

The dopant distributions in an n-type metal-oxide-semiconductor field effect transistor (MOSFET) structure were analyzed by atom probe tomography. The dopant distributions of As, P, and B atoms in a MOSFET structure (gate, gate oxide, channel, source/drain extension, and halo) were obtained. P atoms were segregated at the interface between the poly-Si gate and the gate oxide, and on the grain boundaries of the poly-Si gate, which had an elongated grain structure along the gate height direction. The concentration of B atoms was enriched near the edge of the source/drain extension where the As atoms were implanted.

Dopant distributions in n-MOSFET structure observed by atom probe tomography.

Science.gov (United States)

Inoue, K; Yano, F; Nishida, A; Takamizawa, H; Tsunomura, T; Nagai, Y; Hasegawa, M

2009-11-01

The dopant distributions in an n-type metal-oxide-semiconductor field effect transistor (MOSFET) structure were analyzed by atom probe tomography. The dopant distributions of As, P, and B atoms in a MOSFET structure (gate, gate oxide, channel, source/drain extension, and halo) were obtained. P atoms were segregated at the interface between the poly-Si gate and the gate oxide, and on the grain boundaries of the poly-Si gate, which had an elongated grain structure along the gate height direction. The concentration of B atoms was enriched near the edge of the source/drain extension where the As atoms were implanted.

Big Atoms for Small Children: Building Atomic Models from Common Materials to Better Visualize and Conceptualize Atomic Structure

Science.gov (United States)

Cipolla, Laura; Ferrari, Lia A.

2016-01-01

A hands-on approach to introduce the chemical elements and the atomic structure to elementary/middle school students is described. The proposed classroom activity presents Bohr models of atoms using common and inexpensive materials, such as nested plastic balls, colored modeling clay, and small-sized pasta (or small plastic beads).

Atomic structure of graphene supported heterogeneous model catalysts

International Nuclear Information System (INIS)

Franz, Dirk

2017-04-01

Graphene on Ir(111) forms a moire structure with well defined nucleation centres. Therefore it can be utilized to create hexagonal metal cluster lattices with outstanding structural quality. At diffraction experiments these 2D surface lattices cause a coherent superposition of the moire cell structure factor, so that the measured signal intensity scales with the square of coherently scattering unit cells. This artificial signal enhancement enables the opportunity for X-ray diffraction to determine the atomic structure of small nano-objects, which are hardly accessible with any experimental technique. The uniform environment of every metal cluster makes the described metal cluster lattices on graphene/Ir(111) an attractive model system for the investigation of catalytic, magnetic and quantum size properties of ultra-small nano-objects. In this context the use of x-rays provides a maximum of flexibility concerning the possible sample environments (vacuum, selected gases, liquids, sample temperature) and allows in-situ/operando measurements. In the framework of the present thesis the structure of different metal clusters grown by physical vapor deposition in an UHV environment and after gas exposure have been investigated. On the one hand the obtained results will explore many aspects of the atomic structure of these small metal clusters and on the other hand the presented results will proof the capabilities of the described technique (SXRD on cluster lattices). For iridium, platinum, iridium/palladium and platinum/rhodium the growth on graphene/Ir(111) of epitaxial, crystalline clusters with an ordered hexagonal lattice arrangement has been confirmed using SXRD. The clusters nucleate at the hcp sites of the moire cell and bind via rehybridization of the carbon atoms (sp"2 → sp"3) to the Ir(111) substrate. This causes small displacements of the substrate atoms, which is revealed by the diffraction experiments. All metal clusters exhibit a fcc structure, whereupon

Atomic structure of graphene supported heterogeneous model catalysts

Energy Technology Data Exchange (ETDEWEB)

Franz, Dirk

2017-04-15

Graphene on Ir(111) forms a moire structure with well defined nucleation centres. Therefore it can be utilized to create hexagonal metal cluster lattices with outstanding structural quality. At diffraction experiments these 2D surface lattices cause a coherent superposition of the moire cell structure factor, so that the measured signal intensity scales with the square of coherently scattering unit cells. This artificial signal enhancement enables the opportunity for X-ray diffraction to determine the atomic structure of small nano-objects, which are hardly accessible with any experimental technique. The uniform environment of every metal cluster makes the described metal cluster lattices on graphene/Ir(111) an attractive model system for the investigation of catalytic, magnetic and quantum size properties of ultra-small nano-objects. In this context the use of x-rays provides a maximum of flexibility concerning the possible sample environments (vacuum, selected gases, liquids, sample temperature) and allows in-situ/operando measurements. In the framework of the present thesis the structure of different metal clusters grown by physical vapor deposition in an UHV environment and after gas exposure have been investigated. On the one hand the obtained results will explore many aspects of the atomic structure of these small metal clusters and on the other hand the presented results will proof the capabilities of the described technique (SXRD on cluster lattices). For iridium, platinum, iridium/palladium and platinum/rhodium the growth on graphene/Ir(111) of epitaxial, crystalline clusters with an ordered hexagonal lattice arrangement has been confirmed using SXRD. The clusters nucleate at the hcp sites of the moire cell and bind via rehybridization of the carbon atoms (sp{sup 2} → sp{sup 3}) to the Ir(111) substrate. This causes small displacements of the substrate atoms, which is revealed by the diffraction experiments. All metal clusters exhibit a fcc structure

DFT and experimental studies on structure and spectroscopic parameters of 3,6-diiodo-9-ethyl-9H-carbazole

DEFF Research Database (Denmark)

Radula-Janik, Klaudia; Kupka, Teobald; Ejsmont, Krzysztof

2016-01-01

The first report on crystal and molecular structure of 3,6-diiodo-9-ethyl-9H-carbazole is presented. Experimental room-temperature X-ray and 13C chemical shift studies were supported by advanced theoretical calculations using density functional theory (DFT). The 13C nuclear magnetic shieldings were...... predicted at the non-relativistic and relativistic level of theory using the zeroth-order regular approximation (ZORA). Theoretical relativistic calculations of chemical shifts of carbons C3 and C6, directly bonded to iodine atoms, produced a reasonable agreement with experiment (initial deviation from...

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

Quasi-exactly solvable relativistic soft-core Coulomb models

Energy Technology Data Exchange (ETDEWEB)

Agboola, Davids, E-mail: davagboola@gmail.com; Zhang, Yao-Zhong, E-mail: yzz@maths.uq.edu.au

2012-09-15

By considering a unified treatment, we present quasi exact polynomial solutions to both the Klein-Gordon and Dirac equations with the family of soft-core Coulomb potentials V{sub q}(r)=-Z/(r{sup q}+{beta}{sup q}){sup 1/q}, Z>0, {beta}>0, q{>=}1. We consider cases q=1 and q=2 and show that both cases are reducible to the same basic ordinary differential equation. A systematic and closed form solution to the basic equation is obtained using the Bethe ansatz method. For each case, the expressions for the energies and the allowed parameters are obtained analytically and the wavefunctions are derived in terms of the roots of a set of Bethe ansatz equations. - Highlights: Black-Right-Pointing-Pointer The relativistic bound-state solutions of the soft-core Coulomb models. Black-Right-Pointing-Pointer Quasi-exact treatments of the Dirac and Klein-Gordon equations for the soft-core Coulomb models. Black-Right-Pointing-Pointer Solutions obtained in terms of the roots to the Bethe ansatz equations. Black-Right-Pointing-Pointer The hidden Lie algebraic structure discussed for the models. Black-Right-Pointing-Pointer Results useful in describing mesonic atoms and interaction of intense laser fields with atom.

Understanding Atomic Structure: Is There a More Direct and Compelling Connection between Atomic Line Spectra and the Quantization of an Atom's Energy?

Science.gov (United States)

Rittenhouse, Robert C.

2015-01-01

The "atoms first" philosophy, adopted by a growing number of General Chemistry textbook authors, places greater emphasis on atomic structure as a key to a deeper understanding of the field of chemistry. A pivotal concept needed to understand the behavior of atoms is the restriction of an atom's energy to specific allowed values. However,…

Non-Hermitian interaction representation and its use in relativistic quantum mechanics

Czech Academy of Sciences Publication Activity Database

Znojil, Miloslav

2017-01-01

Roč. 385, č. 10 (2017), s. 162-179 ISSN 0003-4916 R&D Projects: GA ČR GA16-22945S Institutional support: RVO:61389005 Keywords : unitary quantum systems * non-Hermitian version of Dirac's interaction picture * complete set of time-evolution equations * application in relativistic quantum mechanics * Klein-Gordon example with space-time-dependent mass Subject RIV: BE - Theoretical Physics OBOR OECD: Atomic, molecular and chemical physics ( physics of atoms and molecules including collision, interaction with radiation, magnetic resonances, Mössbauer effect) Impact factor: 2.465, year: 2016

Hydrogen atoms in protein structures: high-resolution X-ray diffraction structure of the DFPase

Science.gov (United States)

2013-01-01

Background Hydrogen atoms represent about half of the total number of atoms in proteins and are often involved in substrate recognition and catalysis. Unfortunately, X-ray protein crystallography at usual resolution fails to access directly their positioning, mainly because light atoms display weak contributions to diffraction. However, sub-Ångstrom diffraction data, careful modeling and a proper refinement strategy can allow the positioning of a significant part of hydrogen atoms. Results A comprehensive study on the X-ray structure of the diisopropyl-fluorophosphatase (DFPase) was performed, and the hydrogen atoms were modeled, including those of solvent molecules. This model was compared to the available neutron structure of DFPase, and differences in the protein and the active site solvation were noticed. Conclusions A further examination of the DFPase X-ray structure provides substantial evidence about the presence of an activated water molecule that may constitute an interesting piece of information as regard to the enzymatic hydrolysis mechanism. PMID:23915572

Measurement of the Magnetic Moment of the Negative Muon Bound in Different Atoms

CERN Document Server

Mamedov, T N; Gritsaj, K I; Kormann, O; Major, J V; Stoikov, A V; Zimmermann, U

2001-01-01

Theoretical calculations show that the magnetic moment of the electron and the negative muon in a bound state in an atom should be different from the magnetic moment of the free particle due to their relativistic motion. There are also additional radiative corrections to the magnetic moment of a bound electron (muon) due to the presence of the strong Coulomb field of the atomic nucleus. The results of the measurements of the magnetic moment of the negative muon in carbon, oxygen, magnesium, silicon, sulfur, and zinc are presented. The accuracy of the measurements makes it possible to prove the dependence of the relativistic correction to the magnetic moment of a bound muon on Z of the atom.

An infinite-order two-component relativistic Hamiltonian by a simple one-step transformation.

Science.gov (United States)

Ilias, Miroslav; Saue, Trond

2007-02-14

The authors report the implementation of a simple one-step method for obtaining an infinite-order two-component (IOTC) relativistic Hamiltonian using matrix algebra. They apply the IOTC Hamiltonian to calculations of excitation and ionization energies as well as electric and magnetic properties of the radon atom. The results are compared to corresponding calculations using identical basis sets and based on the four-component Dirac-Coulomb Hamiltonian as well as Douglas-Kroll-Hess and zeroth-order regular approximation Hamiltonians, all implemented in the DIRAC program package, thus allowing a comprehensive comparison of relativistic Hamiltonians within the finite basis approximation.

Theoretical atomic physics code development I: CATS: Cowan Atomic Structure Code

International Nuclear Information System (INIS)

Abdallah, J. Jr.; Clark, R.E.H.; Cowan, R.D.

1988-12-01

An adaptation of R.D. Cowan's Atomic Structure program, CATS, has been developed as part of the Theoretical Atomic Physics (TAPS) code development effort at Los Alamos. CATS has been designed to be easy to run and to produce data files that can interface with other programs easily. The CATS produced data files currently include wave functions, energy levels, oscillator strengths, plane-wave-Born electron-ion collision strengths, photoionization cross sections, and a variety of other quantities. This paper describes the use of CATS. 10 refs

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 ...

The UKB prescription and the heavy atom effects on the nuclear magnetic shielding of vicinal heavy atoms.

Science.gov (United States)

Maldonado, Alejandro F; Aucar, Gustavo A

2009-07-21

Fully relativistic calculations of NMR magnetic shielding on XYH3 (X = C, Si, Ge and Sn; Y = Br, I), XHn (n = 1-4) molecular systems and noble gases performed with a fully relativistic polarization propagator formalism at the RPA level of approach are presented. The rate of convergence (size of basis set and time involved) for calculations with both kinetic balance prescriptions, RKB and UKB, were investigated. Calculations with UKB makes it feasible to obtain reliable results for two or more heavy-atom-containing molecules. For such XYH3 systems, the influence of heavy vicinal halogen atoms on sigma(X) is such that heavy atom effects on heavy atoms (vicinal plus their own effects or HAVHA + HAHA effects) amount to 30.50% for X = Sn and Y = I; being the HAHA effect of the order of 25%. So the vicinal effect alone is of the order of 5.5%. The vicinal heavy atom effect on light atoms (HALA effect) is of the order of 28% for X = C and Y = I. A similar behaviour, but of opposite sign, is observed for sigma(Y) for which sigmaR-NR (I; X = C) (HAHA effect) is around 27% and sigmaR-NR(I; X = Sn) (HAVHA + HAHA effects) is close to 21%. Its electronic origin is paramagnetic for halogen atoms but both dia- and paramagnetic for central atoms. The effect on two bond distant hydrogen atoms is such that the largest variation of sigma(H) within the same family of XYH3 molecules appears for X = Si and Y = I: around 20%. In this case sigma(H; X = Sn, Y = I) = 33.45 ppm and sigma(H; X = Sn, Y = H) = 27.82 ppm.

Unraveling the atomic structure of ultrafine iron clusters

KAUST Repository

Wang, Hongtao

2012-12-18

Unraveling the atomic structures of ultrafine iron clusters is critical to understanding their size-dependent catalytic effects and electronic properties. Here, we describe the stable close-packed structure of ultrafine Fe clusters for the first time, thanks to the superior properties of graphene, including the monolayer thickness, chemical inertness, mechanical strength, electrical and thermal conductivity. These clusters prefer to take regular planar shapes with morphology changes by local atomic shuffling, as suggested by the early hypothesis of solid-solid transformation. Our observations differ from observations from earlier experimental study and theoretical model, such as icosahedron, decahedron or cuboctahedron. No interaction was observed between Fe atoms or clusters and pristine graphene. However, preferential carving, as observed by other research groups, can be realized only when Fe clusters are embedded in graphene. The techniques introduced here will be of use in investigations of other clusters or even single atoms or molecules.

Relativistic Processes and the Internal Structure of Neutron Stars

International Nuclear Information System (INIS)

Alvarez-Castillo, D. E.; Kubis, S.

2011-01-01

Models for the internal composition of Dense Compact Stars are reviewed as well as macroscopic properties derived by observations of relativistic processes. Modeling of pure neutron matter Neutron Stars is presented and crust properties are studied by means of a two fluid model.

Relativistic quantum logic

International Nuclear Information System (INIS)

Mittelstaedt, P.

1983-01-01

on the basis of the well-known quantum logic and quantum probability a formal language of relativistic quantum physics is developed. This language incorporates quantum logical as well as relativistic restrictions. It is shown that relativity imposes serious restrictions on the validity regions of propositions in space-time. By an additional postulate this relativistic quantum logic can be made consistent. The results of this paper are derived exclusively within the formal quantum language; they are, however, in accordance with well-known facts of relativistic quantum physics in Hilbert space. (author)

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.

Determination of atomic cluster structure with cluster fusion algorithm

DEFF Research Database (Denmark)

Obolensky, Oleg I.; Solov'yov, Ilia; Solov'yov, Andrey V.

2005-01-01

We report an efficient scheme of global optimization, called cluster fusion algorithm, which has proved its reliability and high efficiency in determination of the structure of various atomic clusters.......We report an efficient scheme of global optimization, called cluster fusion algorithm, which has proved its reliability and high efficiency in determination of the structure of various atomic clusters....

A monolithic relativistic electron beam source based on a dielectric laser accelerator structure

International Nuclear Information System (INIS)

McNeur, Josh; Carranza, Nestor; Travish, Gil; Yin Hairong; Yoder, Rodney

2012-01-01

Work towards a monolithic device capable of producing relativistic particle beams within a cubic-centimeter is detailed. We will discuss the Micro-Accelerator Platform (MAP), an optical laser powered dielectric accelerator as the main building block of this chip-scale source along with a field enhanced emitter and a region for sub-relativistic acceleration.

Surface structure investigations using noncontact atomic force microscopy

International Nuclear Information System (INIS)

Kolodziej, J.J.; Such, B.; Goryl, M.; Krok, F.; Piatkowski, P.; Szymonski, M.

2006-01-01

Surfaces of several A III B V compound semiconductors (InSb, GaAs, InP, InAs) of the (0 0 1) orientation have been studied with noncontact atomic force microscopy (NC-AFM). Obtained atomically resolved patterns have been compared with structural models available in the literature. It is shown that NC-AFM is an efficient tool for imaging complex surface structures in real space. It is also demonstrated that the recent structural models of III-V compound surfaces provide a sound base for interpretation of majority of features present in recorded patterns. However, there are also many new findings revealed by the NC-AFM method that is still new experimental technique in the context of surface structure determination

Dissipative relativistic hydrodynamics

International Nuclear Information System (INIS)

Imshennik, V.S.; Morozov, Yu.I.

1989-01-01

Using the comoving reference frame in the general non-inertial case, the relativistic hydrodynamics equations are derived with an account for dissipative effects in the matter. From the entropy production equation, the exact from for the dissipative tensor components is obtained. As a result, the closed system of equations of dissipative relativistic hydrodynamics is obtained in the comoving reference frame as a relativistic generalization of the known Navier-Stokes equations for Lagrange coordinates. Equations of relativistic hydrodynamics with account for dissipative effects in the matter are derived using the assocoated reference system in general non-inertial case. True form of the dissipative tensor components is obtained from entropy production equation. Closed system of equations for dissipative relativistic hydrodynamics is obtained as a result in the assocoated reference system (ARS) - relativistic generalization of well-known Navier-Stokes equations for Lagrange coordinates. Equation system, obtained in this paper for ARS, may be effectively used in numerical models of explosive processes with 10 51 erg energy releases which are characteristic for flashes of supernovae, if white dwarf type compact target suggested as presupernova

Modeling of the atomic and electronic structures of interfaces

International Nuclear Information System (INIS)

Sutton, A.P.

1988-01-01

Recent tight binding and Car-Parrinello simulations of grain boundaries in semiconductors are reviewed. A critique is given of some models of embrittlement that are based on electronic structure considerations. The structural unit model of grain boundary structure is critically assessed using some results for mixed tilt and twist grain boundaries. A new method of characterizing interfacial structure in terms of bond angle distribution functions is described. A new formulation of thermodynamic properties of interfaces is presented which focusses on the local atomic environment. Effective, temperature dependent N-body atomic interactions are derived for studying grain boundary structure at elevated temperature

Calculation of radiative opacity of plasma mixtures using a relativistic screened hydrogenic model

International Nuclear Information System (INIS)

Mendoza, M.A.; Rubiano, J.G.; Gil, J.M.; Rodríguez, R.; Florido, R.; Espinosa, G.; Martel, P.; Mínguez, E.

2014-01-01

We present the code ATMED based on an average atom model and conceived for fast computing the population distribution and radiative properties of hot and dense single and multicomponent plasmas under LTE conditions. A relativistic screened hydrogenic model (RSHM), built on a new set of universal constants considering j-splitting, is used to calculate the required atomic data. The opacity model includes radiative bound–bound, bound–free, free–free, and scattering processes. Bound–bound line-shape function has contributions from natural, Doppler and electron-impact broadenings. An additional dielectronic broadening to account for fluctuations in the average level populations has been included, which improves substantially the Rosseland mean opacity results. To illustrate the main features of the code and its capabilities, calculations of several fundamental quantities of one-component plasmas and mixtures are presented, and a comparison with previously published data is performed. Results are satisfactorily compared with those predicted by more elaborate codes. - Highlights: • A new opacity code, ATMED, based on the average atom approximation is presented. • Atomic data are computed by means of a relativistic screened hydrogenic model. • An effective bound level degeneracy is included for accounting pressure ionization. • A new dielectronic line broadening is included to improve the mean opacities. • ATMED has the possibility to handle with single element and multicomponent plasmas

Diamond surface: atomic and electronic structure

International Nuclear Information System (INIS)

Pate, B.B.

1984-01-01

Experimental studies of the diamond surface (with primary emphasis on the (111) surface) are presented. Aspects of the diamond surface which are addressed include (1) the electronic structure, (2) the atomic structure, and (3) the effect of termination of the lattice by foreign atoms. Limited studies of graphite are discussed for comparison with the diamond results. Experimental results from valence band and core level photoemission spectroscopy (PES), Auger electron spectroscopy (AES), low energy electron diffraction (LEED), and carbon 1s near edge x-ray absorption fine structure (NEXAFS) spectroscopy (both the total electron yield (TEY) and Auger electron yield (AEY) techniques) are used to study and characterize both the clean and hydrogenated surface. In addition, the interaction of hydrogen with the diamond surface is examined using results from vibrational high resolution low energy electron loss spectroscopy (in collaboration with Waclawski, Pierce, Swanson, and Celotta at the National Bureau of Standards) and photon stimulated ion desorption (PSID) yield at photon energies near the carbon k-edge (hv greater than or equal to 280 eV). Both EELS and PSID verify that the mechanically polished 1 x 1 surface is hydrogen terminated and also that the reconstructed surface is hydrogen free. The (111) 2 x 2/2 x 1 reconstructed surface is obtained from the hydrogenated (111) 1 x 1:H surface by annealing to approx. = 1000 0 C. We observe occupied intrinsic surface states and a surface chemical shift (0.95 +- 0.1 eV) to lower binding energy of the carbon 1s level on the hydrogen-free reconstructed surface. Atomic hydrogen is found to be reactive with the reconstructed surface, while molecular hydrogen is relatively inert. Exposure of the reconstructed surface to atomic hydrogen results in chemisorption of hydrogen and removal of the intrinsic surface state emission in and near the band gap region

Calculation on uranium carbon oxygen system molecular structure by DFT

International Nuclear Information System (INIS)

Zhang Guangfeng; Wang Xiaolin; Zou Lexi; Sun Ying; Xue Weidong; Zhu Zhenghe; Wang Hongyan

2001-01-01

The authors study on the possible molecular structures U-C-O, U-O-C, C-U-O (angular structure C a nd linear structure C ∞υ ) of carbon monoxide interacting on uranium metal surface by Density functional theory (DFT). The uranium atom is used RECP (Relativistic Effective Core Potential) and contracted valence basis sets (6s5p2d4f)/[3s3p2d2f], and for carbon and oxygen atoms all are 6-311G basis sets. The author presents the results of energy optimum which shows that triple and quintuple state are more stable. The authors get the electronic state, geometry structure, energy, harmonic frequency, mechanical property, etc. of these twelve triple and quintuple state relative stable structures. The normal vibrational analytical figure of angular structure (C s ) and linear structure (C ∞υ ) is given at the same time. It is indicated that angular structure has lower energy than linear structure, moreover the angular structure of U-C-O( 3 A ) has the lowest energy. The bond strength between uranium atom and carbon monoxide is weak and between uranium atom and oxygen atom is slightly stronger than between uranium atom and carbon atom which the authors can know by superposition population and bond energy analysis among atoms

FOREWORD: IX International Symposium on Radiation from Relativistic Electrons in Periodic Structures (RREPS-2011)

Science.gov (United States)

Potylitsyn, Alexander; Karataev, Pavel

2012-05-01

This volume contains papers presented at the IX International Symposium on Radiation from Relativistic Electrons in Periodic Structures (RREPS'11) which was held at Royal Holloway, University of London on September 12-16, Egham, United Kingdom. The symposium was organized jointly by Royal Holloway, University of London and Tomsk Polytechnic University, Tomsk, Russia. RREPS is a biennial series of symposia founded in September 1993 as an initiative of the Nuclear Physics Institute at Tomsk Polytechnic University. The intention was to strengthen the basic and applied research focused on radiation from relativistic electrons in condensed media, particularly from natural and artificial periodic structures, and to review the research activity in this area. Since then, the symposium has developed into a forum attracting young scientists from different areas of research and from many countries. Previous successful symposia were held at Tomsk, Russia (1993, 1995, 1997, 2003), Lake Baikal, Russia (1999), Lake Aiya, Altai, Russia (2001), Czech Technical University in Prague, Czech Republic (2007) and Zvenigorod, Moscow region, Russia (2009). As an outcome of the symposia the conference proceedings have been published in Nuclear Instruments and Methods in Physics Research, Section B (Vol. 145 No 1-2, October 1998; Vol. 173 No 1-2, January 2001; Vol. 201 No 1 January 2003; Vol. 227 No 1-2, January 2005; Vol. 266 No 17, September 2008) and Journal of Physics: Conference Series (Vol. 236, June 2010). The purpose of the present RREPS'11 symposium was to review the up-to-date situation in the area of electromagnetic radiation generated by relativistic charged particles in condensed media, and to discuss the research strategy for the near future. Nowadays, electromagnetic radiation studies cover electron energies from a few MeV up to hundreds of GeV in many laboratories throughout the world. The goal is to study the physics of the generation of various kinds of radiation and their

Calculations with the quasirelativistic local-spin-density-functional theory for high-Z atoms

International Nuclear Information System (INIS)

Guo, Y.; Whitehead, M.A.

1988-01-01

The generalized-exchange local-spin-density-functional theory (LSD-GX) with relativistic corrections of the mass velocity and Darwin terms has been used to calculate statistical total energies for the neutral atoms, the positive ions, and the negative ions for high-Z elements. The effect of the correlation and relaxation correction on the statistical total energy is discussed. Comparing the calculated results for the ionization potentials and electron affinities for the atoms (atomic number Z from 37 to 56 and 72 to 80) with experiment, shows that for the atoms rubidium to barium both the LSD-GX and the quasirelativistic LSD-GX, with self-interaction correction, Gopinathan, Whitehead, and Bogdanovic's Fermi-hole parameters [Phys. Rev. A 14, 1 (1976)], and Vosko, Wilk, and Nusair's correlation correction [Can. J. Phys. 58, 1200 (1980)], are very good methods for calculating ionization potentials and electron affinities. For the atoms hafnium to mercury the relativistic effect has to be considered

Electronic Structure of the fcc Transition Metals Ir, Rh, Pt, and Pd

DEFF Research Database (Denmark)

Andersen, O. Krogh

1970-01-01

We give a complete description of a relativistic augmented-plane-wave calculation of the band structures of the paramagnetic fcc transition metals Ir, Rh, Pt, and Pd. The width and position of the d band decrease in the sequence Ir, Pt, Rh, Pd; and N(EF)=13.8,23.2,18.7, and 32.7 (states/atom)/Ry,......We give a complete description of a relativistic augmented-plane-wave calculation of the band structures of the paramagnetic fcc transition metals Ir, Rh, Pt, and Pd. The width and position of the d band decrease in the sequence Ir, Pt, Rh, Pd; and N(EF)=13.8,23.2,18.7, and 32.7 (states....../atom)/Ry, respectively. Spin-orbit coupling is important for all four metals and the coupling parameter varies by 30% over the d bandwidth. Detailed comparisons with de Haas—van Alphen Fermi-surface dimensions have previously been presented and the agreement was very good. Comparison with measured electronic specific...

Study of the picture change error at the 2nd order Douglas Kroll Hess level of theory. Electron and spin density and structure factors of the Bis[bis(methoxycarbimido) aminato] copper (II) complex

International Nuclear Information System (INIS)

Bučinský, Lukáš; Biskupič, Stanislav; Jayatilaka, Dylan

2012-01-01

Graphical abstract: The dependence of the radial distribution of the spin density in the vicinity of the nucleus on the formal oxidation state of the copper atom is shown on the top three figures. Note also the large impact of PCE as well as relativistic effects. The bottom three figures present the relativistic effects and PCE in the electron density of the [CuL 2 ] model compound (of the size 1 bohr 2 ). PCE is very little affecting the relativistic effects in the electron density close to the nucleus of copper atom, i.e. the PCE in the relativistic effects of the electron density are hardly discernable in the case of compounds containing copper. Highlights: ► The extent of PCE in a model compound containing copper atom is presented. ► The spin/electron density along bond the Cu–N is the most affected by PCE only at the nucleus of the copper atom. ► The 2D inspection of relativistic effects in electron/spin densities is not sensitive to PCE. ► Structure factors are an order of magnitude less affected by PCE than by relativistic effects. ► PCE in the Mulliken populations and spin contamination is considered. - Abstract: The analytic correction and the extent of the picture change error (PCE) at the scalar 2nd order Douglas–Kroll–Hess level of theory is considered. The one-dimensional (1D), two-dimensional (2D) spin/electron densities and/or difference densities, structure factors and Mulliken populations of the Bis [bis-(methoxycarbimido) aminato] copper (II) model compound are presented. For further comparison the radial distributions of the electron and spin density of the copper atom (as well as of the copper di-cation) are presented. In addition, the infinite order two component (IOTC) radial distributions of electron and spin density of the copper atom and copper dication are presented as well. The PCE is almost hidden in the 2D densities of the studied model compound. The 1D electron/spin difference densities along the Cu–N bond show the

Inner-shell photoionization of group-IIB atoms

International Nuclear Information System (INIS)

Kutzner, M.; Tidwell, C.; Vance, S.E.; Radojevic, V.

1994-01-01

Total and partial photoionization cross sections, branching ratios, and angular-distribution asymmetry parameters for inner subshells (nl,l≥2) of the group-IIB elements zinc, cadmium, and mercury have been calculated in both the relativistic random-phase approximation and the relativistic random-phase approximation modified to include relaxation. Comparisons are made between the results of the two theoretical methods and with experiment where available. The present theoretical results for the 3d inner-shell photoionization of zinc are not in accord with experiment. We confirm previous work [S. L. Carter and H. P. Kelly, J. Phys. B 11, 2467 (1978)] which demonstrated that relaxation is an important effect in photoionization of the 4d subshell of atomic cadmium. It is also found that the inclusion of relaxation effects resolves a discrepancy between theory and experiment for the 4f inner-shell photoionization of atomic mercury

Kinematics of a relativistic particle with de Sitter momentum space

International Nuclear Information System (INIS)

Arzano, Michele; Kowalski-Glikman, Jerzy

2011-01-01

We discuss kinematical properties of a free relativistic particle with deformed phase space in which momentum space is given by (a submanifold of) de Sitter space. We provide a detailed derivation of the action, Hamiltonian structure and equations of motion for such a free particle. We study the action of deformed relativistic symmetries on the phase space and derive explicit formulae for the action of the deformed Poincare group. Finally we provide a discussion on parametrization of the particle worldlines stressing analogies and differences with ordinary relativistic kinematics.

Relativistic instant-form approach to the structure of two-body composite systems

International Nuclear Information System (INIS)

Krutov, A.F.; Troitsky, V.E.

2002-01-01

An approach to the electroweak properties of two-particle composite systems is developed. The approach is based on the use of the instant form of relativistic Hamiltonian dynamics. The main feature of this approach is the method of construction of the matrix element of the electroweak current operator. The electroweak current matrix element satisfies the relativistic covariance conditions and in the case of the electromagnetic current also the conservation law automatically. The properties of the system as well as the approximations are formulated in terms of form factors. The approach makes it possible to formulate relativistic impulse approximation in such a way that the Lorentz covariance of the current is ensured. In the electromagnetic case the current conservation law is also ensured. Our approach gives good results for the pion electromagnetic form factor in the whole range of momentum transfers available for experiments at present time, as well as for the lepton decay constant of pions

Modeling terrestrial gamma ray flashes produced by relativistic feedback discharges

Science.gov (United States)

Liu, Ningyu; Dwyer, Joseph R.

2013-05-01

This paper reports a modeling study of terrestrial gamma ray flashes (TGFs) produced by relativistic feedback discharges. Terrestrial gamma ray flashes are intense energetic radiation originating from the Earth's atmosphere that has been observed by spacecraft. They are produced by bremsstrahlung interactions of energetic electrons, known as runaway electrons, with air atoms. An efficient physical mechanism for producing large fluxes of the runaway electrons to make the TGFs is the relativistic feedback discharge, where seed runaway electrons are generated by positrons and X-rays, products of the discharge itself. Once the relativistic feedback discharge becomes self-sustaining, an exponentially increasing number of relativistic electron avalanches propagate through the same high-field region inside the thundercloud until the electric field is partially discharged by the ionization created by the discharge. The modeling results indicate that the durations of the TGF pulses produced by the relativistic feedback discharge vary from tens of microseconds to several milliseconds, encompassing all durations of the TGFs observed so far. In addition, when a sufficiently large potential difference is available in thunderclouds, a self-propagating discharge known as the relativistic feedback streamer can be formed, which propagates like a conventional positive streamer. For the relativistic feedback streamer, the positive feedback mechanism of runaway electron production by the positrons and X-rays plays a similar role as the photoionization for the conventional positive streamer. The simulation results of the relativistic feedback streamer show that a sequence of TGF pulses with varying durations can be produced by the streamer. The relativistic streamer may initially propagate with a pulsed manner and turn into a continuous propagation mode at a later stage. Milliseconds long TGF pulses can be produced by the feedback streamer during its continuous propagation. However

Two-photon decay in heavy atoms and ions

International Nuclear Information System (INIS)

Mokler, P.H.; Dunford, R.W

2003-08-01

We review the status of and comment on current developments in the field of two-photon decay in atomic physics research. Recent work has focused on two-photon decays in highly-charged ions and two-photon decay of inner-shell vacancies in heavy neutral atoms. We emphasize the importance of measuring the shape of the continuum emission in two-photon decay as a probe of relativistic effects in the strong central fields found in heavy atomic systems. New experimental approaches and their consequences will be discussed. (orig.)

Relativistic kinetic theory with applications in astrophysics and cosmology

CERN Document Server

Vereshchagin, Gregory V

2017-01-01

Relativistic kinetic theory has widespread application in astrophysics and cosmology. The interest has grown in recent years as experimentalists are now able to make reliable measurements on physical systems where relativistic effects are no longer negligible. This ambitious monograph is divided into three parts. It presents the basic ideas and concepts of this theory, equations and methods, including derivation of kinetic equations from the relativistic BBGKY hierarchy and discussion of the relation between kinetic and hydrodynamic levels of description. The second part introduces elements of computational physics with special emphasis on numerical integration of Boltzmann equations and related approaches, as well as multi-component hydrodynamics. The third part presents an overview of applications ranging from covariant theory of plasma response, thermalization of relativistic plasma, comptonization in static and moving media to kinetics of self-gravitating systems, cosmological structure formation and neut...

Radiatively driven relativistic spherical winds under relativistic radiative transfer

Science.gov (United States)

Fukue, J.

2018-05-01

We numerically investigate radiatively driven relativistic spherical winds from the central luminous object with mass M and luminosity L* under Newtonian gravity, special relativity, and relativistic radiative transfer. We solve both the relativistic radiative transfer equation and the relativistic hydrodynamical equations for spherically symmetric flows under the double-iteration processes, to obtain the intensity and velocity fields simultaneously. We found that the momentum-driven winds with scattering are quickly accelerated near the central object to reach the terminal speed. The results of numerical solutions are roughly fitted by a relation of \\dot{m}=0.7(Γ _*-1)\\tau _* β _* β _out^{-2.6}, where \\dot{m} is the mass-loss rate normalized by the critical one, Γ* the central luminosity normalized by the critical one, τ* the typical optical depth, β* the initial flow speed at the central core of radius R*, and βout the terminal speed normalized by the speed of light. This relation is close to the non-relativistic analytical solution, \\dot{m} = 2(Γ _*-1)\\tau _* β _* β _out^{-2}, which can be re-expressed as β _out^2/2 = (Γ _*-1)GM/c^2 R_*. That is, the present solution with small optical depth is similar to that of the radiatively driven free outflow. Furthermore, we found that the normalized luminosity (Eddington parameter) must be larger than unity for the relativistic spherical wind to blow off with intermediate or small optical depth, i.e. Γ _* ≳ \\sqrt{(1+β _out)^3/(1-β _out)}. We briefly investigate and discuss an isothermal wind.

Constraints on the cosmological relativistic energy density

International Nuclear Information System (INIS)

Zentner, Andrew R.; Walker, Terry P.

2002-01-01

We discuss bounds on the cosmological relativistic energy density as a function of redshift, reviewing the big bang nucleosynthesis and cosmic microwave background bounds, updating bounds from large scale structure, and introducing a new bound from the magnitude-redshift relation for type Ia supernovae. We conclude that the standard and well-motivated assumption that relativistic energy is negligible during recent epochs is not necessitated by extant data. We then demonstrate the utility of these bounds by constraining the mass and lifetime of a hypothetical massive big bang relic particle

Relativistic deuteron wave function on light front

International Nuclear Information System (INIS)

Karmanov, V.A.

1980-01-01

In the framework of the one boson exchange model the approximate analytical expression for the deuteron wave function (WF) at relativistic relative momenta is obtained. WF depends on extra variable having the form of a unit vector and is determined by six functions instead of two ones (S-and D-waves) in the nonrelativistic case. At moderate momenta the WF is matched with WF in the Reid model. It is emphasized the importance of indication of the qualitative observed phenomena associated with change of parametrization and spin structure of relativistic deuteron WF

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.

Chemistry of the 5g elements. Relativistic calculations on hexafluorides

International Nuclear Information System (INIS)

Dognon, Jean-Pierre; Pyykkoe, Pekka

2017-01-01

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)

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)

Magnetism, Spin Texture, and In-Gap States: Atomic Specialization at the Surface of Oxygen-Deficient SrTiO_{3}.

Science.gov (United States)

Altmeyer, Michaela; Jeschke, Harald O; Hijano-Cubelos, Oliver; Martins, Cyril; Lechermann, Frank; Koepernik, Klaus; Santander-Syro, Andrés F; Rozenberg, Marcelo J; Valentí, Roser; Gabay, Marc

2016-04-15

Motivated by recent spin- and angular-resolved photoemission (SARPES) measurements of the two-dimensional electronic states confined near the (001) surface of oxygen-deficient SrTiO_{3}, we explore their spin structure by means of ab initio density functional theory (DFT) calculations of slabs. Relativistic nonmagnetic DFT calculations display Rashba-like spin winding with a splitting of a few meV and when surface magnetism on the Ti ions is included, bands become spin-split with an energy difference ∼100  meV at the Γ point, consistent with SARPES findings. While magnetism tends to suppress the effects of the relativistic Rashba interaction, signatures of it are still clearly visible in terms of complex spin textures. Furthermore, we observe an atomic specialization phenomenon, namely, two types of electronic contributions: one is from Ti atoms neighboring the oxygen vacancies that acquire rather large magnetic moments and mostly create in-gap states; another comes from the partly polarized t_{2g} itinerant electrons of Ti atoms lying further away from the oxygen vacancy, which form the two-dimensional electron system and are responsible for the Rashba spin winding and the spin splitting at the Fermi surface.

Computational code in atomic and nuclear quantum optics: Advanced computing multiphoton resonance parameters for atoms in a strong laser field

Science.gov (United States)

Glushkov, A. V.; Gurskaya, M. Yu; Ignatenko, A. V.; Smirnov, A. V.; Serga, I. N.; Svinarenko, A. A.; Ternovsky, E. V.

2017-10-01

The consistent relativistic energy approach to the finite Fermi-systems (atoms and nuclei) in a strong realistic laser field is presented and applied to computing the multiphoton resonances parameters in some atoms and nuclei. The approach is based on the Gell-Mann and Low S-matrix formalism, multiphoton resonance lines moments technique and advanced Ivanov-Ivanova algorithm of calculating the Green’s function of the Dirac equation. The data for multiphoton resonance width and shift for the Cs atom and the 57Fe nucleus in dependence upon the laser intensity are listed.

Handbook of relativistic quantum chemistry

International Nuclear Information System (INIS)

Liu, Wenjian

2017-01-01

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.

Polarizational radiation or 'atomic' bremsstrahlung

International Nuclear Information System (INIS)

Ya Amusia, M.

1992-01-01

It is demonstrated that a new kind of continuum spectrum radiation exists, where the mechanism of formation is quite different from that of ordinary bremsstrahlung. The latter originates due to slowing down of the charged projectile in the target field, while the former, called polarization radiation or 'atomic' bremsstrahlung, is a result of radiation either of the target or the projectile particles dipolarly polarized during the collision process. Not only general formulae, but also results of concrete calculations are presented. These demonstrate, that for electron-atom collisions the atomic contribution to the total bremsstrahlung spectrum becomes dominant for photon energies near and above the atomic ionization potential. As to atom-atom or ion-atom collisions, the bremsstrahlung spectrum is completely determined by the atomic contribution. The specific features of the case when the incoming particles are relativistic are discussed at length. A number of examples of colliding pairs are considered, for which the atomic bremsstrahlung process is quite essential: A bare nucleus and an atom, pair of atoms, at least one of which is excited, electron, or atom interacting with a molecule. The same mechanism is essential also in formation of radiation in nuclear and elementary particle collisions. (orig.)

Relativistic wave equations and compton scattering

International Nuclear Information System (INIS)

Sutanto, S.H.; Robson, B.A.

1998-01-01

Full text: Recently an eight-component relativistic wave equation for spin-1/2 particles was proposed.This equation was obtained from a four-component spin-1/2 wave equation (the KG1/2 equation), which contains second-order derivatives in both space and time, by a procedure involving a linearisation of the time derivative analogous to that introduced by Feshbach and Villars for the Klein-Gordon equation. This new eight-component equation gives the same bound-state energy eigenvalue spectra for hydrogenic atoms as the Dirac equation but has been shown to predict different radiative transition probabilities for the fine structure of both the Balmer and Lyman a-lines. Since it has been shown that the new theory does not always give the same results as the Dirac theory, it is important to consider the validity of the new equation in the case of other physical problems. One of the early crucial tests of the Dirac theory was its application to the scattering of a photon by a free electron: the so-called Compton scattering problem. In this paper we apply the new theory to the calculation of Compton scattering to order e 2 . It will be shown that in spite of the considerable difference in the structure of the new theory and that of Dirac the cross section is given by the Klein-Nishina formula

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

International Nuclear Information System (INIS)

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

2004-01-01

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

Relativity, Symmetry, and the Structure of Quantum Theory, Volume 2; Point form relativistic quantum mechanics

Science.gov (United States)

Klink, William H.; Schweiger, Wolfgang

2018-03-01

This book covers relativistic quantum theory from the point of view of a particle theory, based on the irreducible representations of the Poincaré group, the group that expresses the symmetry of Einstein relativity. There are several ways of formulating such a theory; this book develops what is called relativistic point form quantum mechanics, which, unlike quantum field theory, deals with a fixed number of particles in a relativistically invariant way. A chapter is devoted to applications of point form quantum mechanics to nuclear physics.

Unraveling the atomic structure of ultrafine iron clusters

KAUST Repository

Wang, Hongtao; Li, Kun; Yao, Yingbang; Wang, Qingxiao; Cheng, Yingchun; Schwingenschlö gl, Udo; Zhang, Xixiang; Yang, Wei

2012-01-01

Unraveling the atomic structures of ultrafine iron clusters is critical to understanding their size-dependent catalytic effects and electronic properties. Here, we describe the stable close-packed structure of ultrafine Fe clusters for the first

On the relativistic calculation of spontaneous emission

International Nuclear Information System (INIS)

Boudet, R.

1993-01-01

In a recent work, Barut and Salamin (1988) have derived a method for calculating the relativistic decay rates in atoms, in a formulation of quantum electrodynamics based upon the electron's self-energy. The decay rate appears as the imaginary part of a formula giving a complex energy shift, the real part of the formula being the Lamb shift. The presence of the the decay rate in the imaginary part of a formula, giving an energy in its real part, may appear a bit strange. A confirmation of the Barut and Alamin calculation, by means of a quite different point of view, would be useful. Therefore in this work the Einstein A coefficients are calculated, in all cases of degeneracies of the Dirac transition currents, by means of the energy balance method. This point of view is based on the balance between the energy released during the transitions of electrons from a higher state to a lower one, and the flux of the Poynting vector of the classical electromagnetic field, created by the electrons, through a sphere a large radius. The particularity of the present work lies in the direct calculation of the relativistic Dirac transition currents and the fact that the dipole and Pauli approximations are avoided. The quantum part of the relativistic calculation is based on the determination of the transition charge currents in the Darwin solutions of the Dirac equation. 13 refs

Relativistic duality, and relativistic and radiative corrections for heavy-quark systems

International Nuclear Information System (INIS)

Durand, B.; Durand, L.

1982-01-01

We give a JWKB proof of a relativistic duality relation which relates an appropriate energy average of the physical cross section for e + e - →qq-bar bound states→hadrons to the same energy average of the perturbative cross section for e + e - →qq-bar. We show that the duality relation can be used effectively to estimate relativistic and radiative corrections for bound-quark systems to order α/sub s//sup ts2/. We also present a formula which relates the square of the ''large'' 3 S 1 Salpeter-Bethe-Schwinger wave function for zero space-time separation of the quarks to the square of the nonrelativistic Schroedinger wave function at the origin for an effective potential which reproduces the relativistic spectrum. This formula allows one to use the nonrelativistic wave functions obtained in potential models fitted to the psi and UPSILON spectra to calculate relativistic leptonic widths for qq-bar states via a relativistic version of the van Royen--Weisskopf formula

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.

Relativistic non-Hamiltonian mechanics

International Nuclear Information System (INIS)

Tarasov, Vasily E.

2010-01-01

Relativistic particle subjected to a general four-force is considered as a nonholonomic system. The nonholonomic constraint in four-dimensional space-time represents the relativistic invariance by the equation for four-velocity u μ u μ + c 2 = 0, where c is the speed of light in vacuum. In the general case, four-forces are non-potential, and the relativistic particle is a non-Hamiltonian system in four-dimensional pseudo-Euclidean space-time. We consider non-Hamiltonian and dissipative systems in relativistic mechanics. Covariant forms of the principle of stationary action and the Hamilton's principle for relativistic mechanics of non-Hamiltonian systems are discussed. The equivalence of these principles is considered for relativistic particles subjected to potential and non-potential forces. We note that the equations of motion which follow from the Hamilton's principle are not equivalent to the equations which follow from the variational principle of stationary action. The Hamilton's principle and the principle of stationary action are not compatible in the case of systems with nonholonomic constraint and the potential forces. The principle of stationary action for relativistic particle subjected to non-potential forces can be used if the Helmholtz conditions are satisfied. The Hamilton's principle and the principle of stationary action are equivalent only for a special class of relativistic non-Hamiltonian systems.

2D-PES/XAS method for atomic-layer-resolved magnetic structure analysis

International Nuclear Information System (INIS)

Matsui, F.; Daimon, H.; Matsushita, T.; Guo, F.Z.

2008-01-01

Photoelectron and Auger electron angular distributions from a localized core level provide information on atomic configurations. Forward-focusing peaks indicate the directions of atoms surrounding the excited atom. X-ray absorption fine structure and X-ray magnetic circular dichroism measurements by Auger electron yield detection on the other hand are excellent methods for studying of the electronic and magnetic structures of surfaces, adsorbates, and thin films. However, all the information from atoms within the electron mean-free-path region is averaged into the obtained spectra. Here, we introduce a new method of X-ray absorption spectroscopy (XAS) combined with measurements of Auger electron angular distribution using a display-type analyzer. Taking advantage of the forward-focusing peak as an excellent element- and site-selective probe, 2D-XAS enables direct access to the individual electronic and magnetic structures of each atomic layer. This method was applied to studying the electronic and magnetic structures of Ni thin film at atomic level. (author)

Vortex-ring-fractal Structure of Atom and Molecule

International Nuclear Information System (INIS)

Osmera, Pavel

2010-01-01

This chapter is an attempt to attain a new and profound model of the nature's structure using a vortex-ring-fractal theory (VRFT). Scientists have been trying to explain some phenomena in Nature that have not been explained so far. The aim of this paper is the vortex-ring-fractal modeling of elements in the Mendeleev's periodic table, which is not in contradiction to the known laws of nature. We would like to find some acceptable structure model of the hydrogen as a vortex-fractal-coil structure of the proton and a vortex-fractal-ring structure of the electron. It is known that planetary model of the hydrogen atom is not right, the classical quantum model is too abstract. Our imagination is that the hydrogen is a levitation system of the proton and the electron. Structures of helium, oxygen, and carbon atoms and a hydrogen molecule are presented too.

Fast Atom Ionization in Strong Electromagnetic Radiation

Science.gov (United States)

Apostol, M.

2018-05-01

The Goeppert-Mayer and Kramers-Henneberger transformations are examined for bound charges placed in electromagnetic radiation in the non-relativistic approximation. The consistent inclusion of the interaction with the radiation field provides the time evolution of the wavefunction with both structural interaction (which ensures the bound state) and electromagnetic interaction. It is shown that in a short time after switching on the high-intensity radiation the bound charges are set free. In these conditions, a statistical criterion is used to estimate the rate of atom ionization. The results correspond to a sudden application of the electromagnetic interaction, in contrast with the well-known ionization probability obtained by quasi-classical tunneling through classically unavailable non-stationary states, or other equivalent methods, where the interaction is introduced adiabatically. For low-intensity radiation the charges oscillate and emit higher-order harmonics, the charge configuration is re-arranged and the process is resumed. Tunneling ionization may appear in these circumstances. Extension of the approach to other applications involving radiation-induced charge emission from bound states is discussed, like ionization of molecules, atomic clusters or proton emission from atomic nuclei. Also, results for a static electric field are included.

Nanoscale structure and atomic disorder in the iron-based chalcogenides

Directory of Open Access Journals (Sweden)

Naurang Lal Saini

2013-01-01

Full Text Available The multiband iron-based superconductors have layered structure with a phase diagram characterized by a complex interplay of charge, spin and lattice excitations, with nanoscale atomic structure playing a key role in their fundamental electronic properties. In this paper, we briefly review nanoscale structure and atomic disorder in iron-based chalcogenide superconductors. We focus on the Fe(Se,S1−xTex (11-type and K0.8Fe1.6Se2 (122-type systems, discussing their local structure obtained by extended x-ray absorption fine structure. Local structure studies on the Fe(Se,S1−xTex system reveal clear nanoscale phase separation characterized by coexisting components of different atomic configurations, similar to the case of random alloys. In fact, the Fe–Se/S and Fe–Te distances in the ternary Fe(Se,S1−xTex are found to be closer to the respective distances in the binary FeSe/FeS and FeTe systems, showing significant divergence of the local structure from the average one. The observed features are characteristic of ternary random alloys, indicating breaking of the local symmetry in these materials. On the other hand, K0.8Fe1.6Se2 is known for phase separation in an iron-vacancy ordered phase and an in-plane compressed lattice phase. The local structure of these 122-type chalcogenides shows that this system is characterized by a large local disorder. Indeed, the experiments suggest a nanoscale glassy phase in K0.8Fe1.6Se2, with the superconductivity being similar to the granular materials. While the 11-type structure has no spacer layer, the 122-type structure contains intercalated atoms unlike the 1111-type REFeAsO (RE = rare earth oxypnictides, having well-defined REO spacer layers. It is clear that the interlayer atomic correlations in these iron-based superconducting structures play an important role in structural stability as well as superconductivity and magnetism.

Relationship between quantum walks and relativistic quantum mechanics

International Nuclear Information System (INIS)

Chandrashekar, C. M.; Banerjee, Subhashish; Srikanth, R.

2010-01-01

Quantum walk models have been used as an algorithmic tool for quantum computation and to describe various physical processes. This article revisits the relationship between relativistic quantum mechanics and the quantum walks. We show the similarities of the mathematical structure of the decoupled and coupled forms of the discrete-time quantum walk to that of the Klein-Gordon and Dirac equations, respectively. In the latter case, the coin emerges as an analog of the spinor degree of freedom. Discrete-time quantum walk as a coupled form of the continuous-time quantum walk is also shown by transforming the decoupled form of the discrete-time quantum walk to the Schroedinger form. By showing the coin to be a means to make the walk reversible and that the Dirac-like structure is a consequence of the coin use, our work suggests that the relativistic causal structure is a consequence of conservation of information. However, decoherence (modeled by projective measurements on position space) generates entropy that increases with time, making the walk irreversible and thereby producing an arrow of time. The Lieb-Robinson bound is used to highlight the causal structure of the quantum walk to put in perspective the relativistic structure of the quantum walk, the maximum speed of walk propagation, and earlier findings related to the finite spread of the walk probability distribution. We also present a two-dimensional quantum walk model on a two-state system to which the study can be extended.

The incompressible non-relativistic Navier-Stokes equation from gravity

International Nuclear Information System (INIS)

Bhattacharyya, Sayantani; Minwalla, Shiraz; Wadia, Spenta R.

2009-01-01

We note that the equations of relativistic hydrodynamics reduce to the incompressible Navier-Stokes equations in a particular scaling limit. In this limit boundary metric fluctuations of the underlying relativistic system turn into a forcing function identical to the action of a background electromagnetic field on the effectively charged fluid. We demonstrate that special conformal symmetries of the parent relativistic theory descend to 'accelerated boost' symmetries of the Navier-Stokes equations, uncovering a conformal symmetry structure of these equations. Applying our scaling limit to holographically induced fluid dynamics, we find gravity dual descriptions of an arbitrary solution of the forced non-relativistic incompressible Navier-Stokes equations. In the holographic context we also find a simple forced steady state shear solution to the Navier-Stokes equations, and demonstrate that this solution turns unstable at high enough Reynolds numbers, indicating a possible eventual transition to turbulence.

Relativistic effects in the intermolecular interaction-induced nuclear magnetic resonance parameters of xenon dimer

DEFF Research Database (Denmark)

Hanni, Matti; Lantto, Perttu; Ilias, Miroslav

2007-01-01

Relativistic effects on the 129Xe nuclear magnetic resonance shielding and 131Xe nuclear quadrupole coupling (NQC) tensors are examined in the weakly bound Xe2 system at different levels of theory including the relativistic four-component Dirac-Hartree-Fock (DHF) method. The intermolecular...... interaction-induced binary chemical shift d, the anisotropy of the shielding tensor ?s, and the NQC constant along the internuclear axis ?ll are calculated as a function of the internuclear distance. DHF shielding calculations are carried out using gauge-including atomic orbitals. For comparison, the full...... is obtained for d and ?s in Xe2. For these properties, the currently most complete theoretical description is obtained by a piecewise approximation where the uncorrelated relativistic DHF results obtained close to the basis-set limit are corrected, on the one hand, for NR correlation effects and, on the other...

RPA correlations and nuclear densities in relativistic mean field approach

International Nuclear Information System (INIS)

Van Giai, N.; Liang, H.Z.; Meng, J.

2007-02-01

The relativistic mean field approach (RMF) is well known for describing accurately binding energies and nucleon distributions in atomic nuclei throughout the nuclear chart. The random phase approximation (RPA) built on top of the RMF is also a good framework for the study of nuclear excitations. Here, we examine the consequences of long range correlations brought about by the RPA on the neutron and proton densities as given by the RMF approach. (authors)

On the linear stability of sheared and magnetized jets without current sheets - relativistic case

Science.gov (United States)

Kim, Jinho; Balsara, Dinshaw S.; Lyutikov, Maxim; Komissarov, Serguei S.

2018-03-01

In our prior series of papers, we studied the non-relativistic and relativistic linear stability analysis of magnetized jets that do not have current sheets. In this paper, we extend our analysis to relativistic jets with a velocity shear and a similar current sheet free structure. The jets that we study are realistic because we include a velocity shear, a current sheet free magnetic structure, a relativistic velocity and a realistic thermal pressure so as to achieve overall pressure balance in the unperturbed jet. In order to parametrize the velocity shear, we apply a parabolic profile to the jets' 4-velocity. We find that the velocity shear significantly improves the stability of relativistic magnetized jets. This fact is completely consistent with our prior stability analysis of non-relativistic, sheared jets. The velocity shear mainly plays a role in stabilizing the short wavelength unstable modes for the pinch as well as the kink instability modes. In addition, it also stabilizes the long wavelength fundamental pinch instability mode. We also visualize the pressure fluctuations of each unstable mode to provide a better physical understanding of the enhanced stabilization by the velocity shear. Our overall conclusion is that combining velocity shear with a strong and realistic magnetic field makes relativistic jets even more stable.

On Coulomb disintegration of relativistic nuclei and hypernuclei

International Nuclear Information System (INIS)

Lyuboshits, V.L.

1989-01-01

The dependence of the total cross-section of excitation and disintegration of a relativistic nucleus in the Coulomb field on the energy and parameters characterizing nuclear dimensions is investigated. The analogy with the problem of atomic ionization at the passage of charged particles through matter is used. The results are applied to the description of the Coulomb dissociation of nuclei with small binding energies. An explicit expression for the effective cross-section of the Coulomb disintegration of the hypernucleus-Λ 3 H into a deuteron and Λ-particle. 12 refs

Polarization of photoelectrons produced from atoms by synchrotron radiation

International Nuclear Information System (INIS)

Hughes, V.W.; Lu, D.C.; Huang, K.N.

1981-01-01

The polarization of photoelectrons from stoms has proved to be an important tool for studying correlation effects in atoms, as well as relativistic effects such as the spin-orbit interaction. Extensive experimental and theoretical studies have been made of the Fano effect, which is the production of polarized electrons by photoionization of unpolarized atoms by circularly polarized light. The experiments have dealt mostly with alkali atoms and with photon energies slightly above the ionization thresholds. Measurements that could be made to utilize polarized radiation are discussed

Heavy particle scattering by atomic and nuclear systems

International Nuclear Information System (INIS)

Lazauskas, R.

2003-10-01

In this thesis quantum mechanical non-relativistic few-body problem is discussed. Basing on fundamentals ideas from Faddeev and Yakubovski three and four body equations are formulated and solved for fermionic atomic and nuclear systems. Former equations are modified to include long range interactions. Original results for nuclear and molecular physics were obtained: -) positively charged particle scattering on hydrogen atoms was considered; predictions for π + → H, μ + → H and p + → H scattering lengths were given. Existence of an unknown, very weakly bound H + 2 bound state was predicted. -) Motivated by the possible observation of bound four neutron structure at GANIL we have studied compatibility of such an existence within the current nuclear interaction models. -) 4 nucleon scattering at low energies was investigated. Results for n → 3 H, p → 3 H and p → 3 He systems were compared with the experimental data. Validity of realistic nucleon-nucleon interaction models is questioned. (author)

Atomic-level structures and physical properties of magnetic CoSiB metallic glasses

International Nuclear Information System (INIS)

Shan, Guangcun; Liang Zhang, Ji; Li, Jiong; Zhang, Shuo; Jiang, Zheng; Huang, Yuying; Shek, Chan-Hung

2014-01-01

Two CoSiB metallic glasses of low Co contents, which consist of different clusters, have recently been developed by addition of solute atoms. In this work, the atomic structure and the magnetic properties of the two CoBSi metallic glasses were elucidated by state-of-the-art extended X-ray absorption fine structure spectroscopy (EXAFS) combining with ab initio molecular-dynamics (AIMD) computational techniques. Besides, the origin of these magnetic behaviors was discussed in view of the EXAFS results and atomic structures of the metallic glasses. - Graphical abstract: The atomic structure and the origins of the magnetic properties of two ternary CoBSi metallic glasses were elucidated by state-of-the-art extended X-ray absorption fine structure spectroscopy (EXAFS) combining with ab initio molecular-dynamics (AIMD) techniques. - Highlights: • The atomic structure and the origins of the magnetic properties of two ternary CoBSi metallic glasses were revealed. • The atomic structures were elucidated by state-of-the-art extended X-ray absorption fine structure spectroscopy (EXAFS) combining with ab initio molecular-dynamics (AIMD) techniques. • The experimental spectra were in good agreement with the predictions of ab initio full multiple scattering theory using the FEFF8.4 code. • The origin of these magnetic behaviors was discussed in view of the EXAFS results and atomic structures of the metallic glasses. • These two metallic glasses consist of different clusters, and hence different magnetic properties, which are dominated by short-range orders (SROs)

Relativistic description of nuclear systems in the Hartree-Fock approximation

International Nuclear Information System (INIS)

Bouyssy, A.; Mathiot, J.F.; Nguyen Van Giai; Marcos, S.

1986-03-01

The structure of infinite nuclear matter and finite nuclei is studied in the framework of the relativistic Hartree-Fock approximation. A particular attention is paid to the contribution of isovector mesons. (π,p). A satisfactory description of binding energies and densities can be obtained for light as well as heavy nuclei. The spin-orbit splittings are well reproduced. Connections with non-relativistic formulations are also discussed

Atomic fine structure in a space of constant curvature

International Nuclear Information System (INIS)

Bessis, N.; Bessis, G.; Shamseddine, R.

1982-01-01

As a contribution to a tentative formulation of atomic physics in a curved space, the determination of atomic fine structure energies in a space of constant curvature is investigated. Starting from the Dirac equation in a curved space-time, the analogue of the Pauli equation in a general coordinate system is derived. The theoretical curvature induced shifts and splittings of the fine structure energy levels are put in evidence and examined for the particular case of the hydrogenic n=2 levels. (author)

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.

Diffraction radiation from relativistic particles

International Nuclear Information System (INIS)

Potylitsyn, Alexander Petrovich; Ryazanov, Mikhail Ivanovich; 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. (orig.)

Realizing high magnetic moments in fcc Fe nanoparticles through atomic structure stretch

International Nuclear Information System (INIS)

Baker, S H; Roy, M; Thornton, S C; Binns, C

2012-01-01

We describe the realization of a high moment state in fcc Fe nanoparticles through a controlled change in their atomic structure. Embedding Fe nanoparticles in a Cu 1-x Au x matrix causes their atomic structure to switch from bcc to fcc. Extended x-ray absorption fine structure (EXAFS) measurements show that the structure in both the matrix and the Fe nanoparticles expands as the amount of Au in the matrix is increased, with the data indicating a tetragonal stretch in the Fe nanoparticles. The samples were prepared directly from the gas phase by co-deposition, using a gas aggregation source and MBE-type sources respectively for the nanoparticle and matrix materials. The structure change in the Fe nanoparticles is accompanied by a sharp increase in atomic magnetic moment, ultimately to values of ∼2.5 ± 0.3 μ B /atom. (paper)

Relativistic implications of the quantum phase

International Nuclear Information System (INIS)

Low, Stephen G

2012-01-01

The quantum phase leads to projective representations of symmetry groups in quantum mechanics. The projective representations are equivalent to the unitary representations of the central extension of the group. A celebrated example is Wigner's formulation of special relativistic quantum mechanics as the projective representations of the inhomogeneous Lorentz group. However, Wigner's formulation makes no mention of the Weyl-Heisenberg group and the hermitian representation of its algebra that are the Heisenberg commutation relations fundamental to quantum physics. We put aside the relativistic symmetry and show that the maximal quantum symmetry that leaves the Heisenberg commutation relations invariant is the projective representations of the conformally scaled inhomogeneous symplectic group. The Weyl-Heisenberg group and noncommutative structure arises directly because the quantum phase requires projective representations. We then consider the relativistic implications of the quantum phase that lead to the Born line element and the projective representations of an inhomogeneous unitary group that defines a noninertial quantum theory. (Understanding noninertial quantum mechanics is a prelude to understanding quantum gravity.) The remarkable properties of this symmetry and its limits are studied.

The cytotoxicity of organobismuth compounds with certain molecular structures can be diminished by replacing the bismuth atom with an antimony atom in the molecules.

Science.gov (United States)

Kohri, Kumiko; Yoshida, Eiko; Yasuike, Shuji; Fujie, Tomoya; Yamamoto, Chika; Kaji, Toshiyuki

2015-06-01

Organic-inorganic hybrid molecules, which are composed of an organic structure and metal(s), are indispensable for synthetic chemical reactions; however, their toxicity has been incompletely understood. In the present study, we discovered two cytotoxic organobismuth compounds whose cytotoxicity diminished upon replacement of the intramolecular bismuth atom with an antimony atom. The intracellular accumulation of the organobismuth compounds was much higher than that of the organoantimony compounds with the corresponding organic structures. We also showed that both the organic structure and bismuth atom are required for certain organobismuth compounds to exert their cytotoxic effect, suggesting that the cytotoxicity of such a compound is a result of an interaction between the organic structure and the bismuth atom. The present data suggest that organobismuth compounds with certain molecular structures exhibit cytotoxicity via an interaction between the molecular structure and the bismuth atom, and this cytotoxicity can be diminished by replacing the bismuth atom with an antimony atom, resulting in lower intracellular accumulation.

Asymptotic solution of the coupled equations for electron collisions with atoms or positive ions using Dirac hamiltonians

International Nuclear Information System (INIS)

Grant, I.P.

1982-01-01

Possible relativistic effects in low energy electron scattering from atoms or positive ions has been investigated using the Dirac hamiltonian. Single channel formula and many channel expressions indicate that asymptotic estimation of radial wavefunctions can be carried out satisfactorily for most purposes using non-relativistic methods. (U.K.)

Core-dependent and ligand-dependent relativistic corrections to the nuclear magnetic shieldings in MH4-n Y n (n = 0-4; M = Si, Ge, Sn, and Y = H, F, Cl, Br, I) model compounds.

Science.gov (United States)

Maldonado, Alejandro F; Aucar, Gustavo A; Melo, Juan I

2014-09-01

The nuclear magnetic shieldings of Si, Ge, and Sn in MH(4-n) Y(n) (M = Si, Ge, Sn; Y = F, Cl, Br, I and n = 1-4) molecular systems are highly influenced by the substitution of one or more hydrogens by heavy-halogen atoms. We applied the linear response elimination of small components (LRESC) formalism to calculate those shieldings and learn whether including only a few of the leading relativistic correction terms is sufficient to be able to quantitatively reproduce the full relativistic value. It was observed that the nuclear magnetic shieldings change as the number of heavy halogen substituents and their weights vary, and the pattern of σ(M) generally does not exhibit the normal halogen dependence (NHD) behavior that can be seen in similar molecular systems containing carbon atoms. We also analyzed each relativistic correction afforded by the LRESC method and split them in two: core-dependent and ligand-dependent contributions; we then looked for the electronic mechanisms involved in the different relativistic effects and in the total relativistic value. Based on this analysis, we were able to study the electronic mechanism involved in a recently proposed relativistic effect, the "heavy atom effect on vicinal heavy atom" (HAVHA), in more detail. We found that the main electronic mechanism is the spin-orbit or σ p (T(3)) correction, although other corrections such as σ p (S(1)) and σ p (S(3)) are also important. Finally, we analyzed proton magnetic shieldings and found that, for molecules containing Sn as the central atom, σ(H) decreases as the number of heavy halogen substituents (of the same type: either F, Cl, or Br) increases, albeit at different rates for different halogens. σ(H) only increase as the number of halogen substituents increases if the halogen is iodine.

Tau electron atoms at RHIC

International Nuclear Information System (INIS)

Weiss, M.S.

1985-01-01

An amusement ancillary to the proposed quark-gluon plasma production hypothesized from a relativistic heavy ion collider (RHIC is a sufficient quantity of tau electrons to potentially admit the study of its exotic atoms. In this paper the given wealth of nuclear phenomena is derived from muonic atoms assume a tau atom is more forthcoming of information due to the lower orbits entirely contained within the nucleus. It is the purpose of this brief note to discuss the production mechanism at a RHIC and to delineate some of the more obvious properties of the tau atom. As in the case of the mu, more exotic phenomena derived from resonance ''accidents'' with nuclear transitions takes place, but it would be presumptions to discuss them at this time. Given the complete containment in nuclear matter of the tau lepton in its innermost atomic orbits. An experiment performed with such an exotic species results in the measurement of its lifetime

Collisional radiative model for Ar-O2 mixture plasma with fully relativistic fine structure cross sections

Science.gov (United States)

Priti, Gangwar, Reetesh Kumar; Srivastava, Rajesh

2018-04-01

A collisional radiative (C-R) model has been developed to diagnose the rf generated Ar-O2 (0%-5%) mixture plasma at low temperatures. Since in such plasmas the most dominant process is an electron impact excitation process, we considered several electron impact fine structure transitions in an argon atom from its ground as well as excited states. The cross-sections for these transitions have been obtained using the reliable fully relativistic distorted wave theory. Processes which account for the coupling of argon with the oxygen molecules have been further added to the model. We couple our model to the optical spectroscopic measurements reported by Jogi et al. [J. Phys. D: Appl. Phys. 47, 335206 (2014)]. The plasma parameters, viz. the electron density (ne) and the electron temperature (Te) as a function of O2 concentration have been obtained using thirteen intense emission lines out of 3p54p → 3p54s transitions observed in their spectroscopic measurements. It is found that as the content of O2 in Ar increases from 0%-5%, Te increases in the range 0.85-1.7 eV, while the electron density decreases from 2.76 × 1012-2.34 × 1011 cm-3. The Ar-3p54s (1si) fine-structure level populations at our extracted plasma parameters are found to be in very good agreement with those obtained from the measurements. Furthermore, we have estimated the individual contributions coming from the ground state, 1si manifolds and cascade contributions to the population of the radiating Ar-3p54p (2pi) states as a function of a trace amount of O2. Such information is very useful to understand the importance of various processes occurring in the plasma.

Photoelectron spectroscopy of heavy atoms and molecules

International Nuclear Information System (INIS)

White, M.G.

1979-07-01

The importance of relativistic interactions in the photoionization of heavy atoms and molecules has been investigated by the technique of photoelectron spectroscopy. In particular, experiments are reported which illustrate the effects of the spin-orbit interaction in the neutral ground state, final ionic states and continuum states of the photoionization target

Charge exchange in ion-atom collisions

International Nuclear Information System (INIS)

Bransden, B.H.

1990-01-01

Charge exchange reactions in which electrons are transferred from one ion (or atom) to another during a collision have been studied both as interesting examples of rearrangement collisions and because of important applications in plasma physics. This article reviews the modern theory developed for use at non-relativistic energies, but excluding the thermal and very low energy region. (author)

Non-Relativistic Twistor Theory and Newton-Cartan Geometry

Science.gov (United States)

Dunajski, Maciej; Gundry, James

2016-03-01

We develop a non-relativistic twistor theory, in which Newton-Cartan structures of Newtonian gravity correspond to complex three-manifolds with a four-parameter family of rational curves with normal bundle O oplus O(2)}. We show that the Newton-Cartan space-times are unstable under the general Kodaira deformation of the twistor complex structure. The Newton-Cartan connections can nevertheless be reconstructed from Merkulov's generalisation of the Kodaira map augmented by a choice of a holomorphic line bundle over the twistor space trivial on twistor lines. The Coriolis force may be incorporated by holomorphic vector bundles, which in general are non-trivial on twistor lines. The resulting geometries agree with non-relativistic limits of anti-self-dual gravitational instantons.

Direct experimental determination of the atomic structure at internal interfaces

Energy Technology Data Exchange (ETDEWEB)

Browning, N.D. [Oak Ridge National Lab., TN (United States)]|[Illinois Univ., Chicago, IL (United States); Pennycook, S.J. [Oak Ridge National Lab., TN (United States)

1995-07-01

A crucial first step in understanding the effect that internal interfaces have on the properties of materials is the ability to determine the atomic structure at the interface. As interfaces can contain atomic disorder, dislocations, segregated impurities and interphases, sensitivity to all of these features is essential for complete experimental characterization. By combining Z-contrast imaging and electron energy loss spectroscopy (EELS) in a dedicated scanning transmission electron microscope (STEM), the ability to probe the structure, bonding and composition at interfaces with the necessary atomic resolution has been obtained. Experimental conditions can be controlled to provide, simultaneously, both incoherent imaging and spectroscopy. This enables interface structures observed in the image to be interpreted intuitively and the bonding in a specified atomic column to be probed directly by EELS. The bonding and structure information can then be correlated using bond-valence sum analysis to produce structural models. This technique is demonstrated for 25{degrees}, 36{degrees} and 67{degrees} symmetric and 45{degrees} and 25{degrees} asymmetric [001] tilt grain boundaries in SrTiO{sub 3} The structures of both types of boundary were found to contain partially occupied columns in the boundary plane. From these experimental results, a series of structural units were identified which could be combined, using continuity of gain boundary structure principles, to construct all [001] tilt boundaries in SrTiO{sub 3}. Using these models, the ability of this technique to address the issues of vacancies and dopant segregation at grain boundaries in electroceramics is discussed.

Relativistic theory of spontaneous emission

International Nuclear Information System (INIS)

Barut, A.O.; Salamin, Y.I.

1987-06-01

We derive a formula for the relativistic decay rates in atoms in a formulation of Quantum Electrodynamics based upon the electron's self energy. Relativistic Coulomb wavefunctions are used, the full spin calculation is carried out and the dipole approximation is not employed. The formula has the correct nonrelativistic limit and is used here for calculating the decay rates in Hydrogen and Muonium for the transitions 2P → 1S 1/2 and 2S 1/2 → 1S 1/2 . The results for Hydrogen are: Γ(2P → 1S 1/2 )=6.2649x10 8 s -1 and Γ(2S 1/2 → 1S 1/2 )=2.4946x10 -6 s -1 . Our result for the 2P → 1S 1/2 transition rate is in perfect agreement with the best nonrelativistic calculations as well as with the results obtained from the best known radiative decay lifetime measurements. As for the Hydrogen 2S 1/2 → 1S 1/2 decay rate, the result obtained here is also in good agreement with the best known magnetic dipole calculations. For Muonium we get: Γ(2P → 1S 1/2 )=6.2382x10 8 s -1 and Γ(2S 1/2 → 1S 1/2 )=2.3997x10 -6 s -1 . (author). 23 refs, 4 tabs

Relativistic Kinetic Theory

Science.gov (United States)

Vereshchagin, Gregory V.; Aksenov, Alexey G.

2017-02-01

Preface; Acknowledgements; Acronyms and definitions; Introduction; Part I. Theoretical Foundations: 1. Basic concepts; 2. Kinetic equation; 3. Averaging; 4. Conservation laws and equilibrium; 5. Relativistic BBGKY hierarchy; 6. Basic parameters in gases and plasmas; Part II. Numerical Methods: 7. The basics of computational physics; 8. Direct integration of Boltzmann equations; 9. Multidimensional hydrodynamics; Part III. Applications: 10. Wave dispersion in relativistic plasma; 11. Thermalization in relativistic plasma; 12. Kinetics of particles in strong fields; 13. Compton scattering in astrophysics and cosmology; 14. Self-gravitating systems; 15. Neutrinos, gravitational collapse and supernovae; Appendices; Bibliography; Index.

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.

Electron - atom bremsstrahlung

International Nuclear Information System (INIS)

Kim, L.

1986-01-01

Features of bremsstrahlung radiation from neutral atoms and atoms in hot dense plasmas are studied. Predictions for the distributions of electron-atom bremsstrahlung radiation for both the point-Coulomb potential and screened potentials are obtained using a classical numerical method. Results agree with exact quantum-mechanical partial-wave results for low incident electron energies in both the point-Coulomb and screened potentials. In the screened potential, the asymmetry parameter of a spectrum is reduced from the Coulomb values. The difference increases with decreasing energy and begins to oscillate at very low energies. The scaling properties of bremsstrahlung spectra and energy losses were also studied. It was found that the ratio of the radiative energy loss for positrons to that for electrons obeys a simple scaling law, being expressible fairly accurately as a function only of the quantity T 1 /Z 2 . This scaling is exact in the case of the point-Coulomb potential, both for classical bremsstrahlung and for the nonrelativistic dipole Sommerfeld formula. Bremsstrahlung from atoms in hot dense plasmas were also studied describing the atomic potentials by the temperature-and-density dependent Thomas-Fermi mode. Gaunt factors were obtained with the relativistic partial-wave method for atoms in plasmas of various densities and temperatures

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…

Basic atomic interactions of accelerated heavy ions in matter atomic interactions of heavy ions

CERN Document Server

Tolstikhina, Inga; Winckler, Nicolas; Shevelko, Viacheslav

2018-01-01

This book provides an overview of the recent experimental and theoretical results on interactions of heavy ions with gaseous, solid and plasma targets from the perspective of atomic physics. The topics discussed comprise stopping power, multiple-electron loss and capture processes, equilibrium and non-equilibrium charge-state fractions in penetration of fast ion beams through matter including relativistic domain. It also addresses mean charge-states and equilibrium target thickness in ion-beam penetrations, isotope effects in low-energy electron capture, lifetimes of heavy ion beams, semi-empirical formulae for effective cross sections. The book is intended for researchers and graduate students working in atomic, plasma and accelerator physics.

Integrable couplings of relativistic Toda lattice systems in polynomial form and rational form, their hierarchies and bi-Hamiltonian structures

Energy Technology Data Exchange (ETDEWEB)

Xu Xixiang [College of Science, Shandong University of Science and Technology, Qingdao 266510 (China)], E-mail: xixiang_xu@yahoo.com.cn

2009-10-02

Integrable couplings of relativistic Toda lattice systems in polynomial form and rational form, and their hierarchies, are derived from a four-by-four discrete matrix eigenvalue problem. The bi-Hamiltonian structure for every integrable coupling in the two hierarchies obtained is established by means of the discrete variational identity. Ultimately, Liouvolle integrability of the obtained integrable couplings is demonstrated.

Relativistic positioning systems: perspectives and prospects

Science.gov (United States)

Coll Bartolomé

2013-11-01

Relativistic positioning systems are interesting technical objects for applications around the Earth and in the Solar system. But above all else, they are basic scientific objects allowing developing relativity from its own concepts. Some past and future features of relativistic positioning sys- tems, with special attention to the developments that they suggest for an epistemic relativity (relativistic experimental approach to physics), are analyzed. This includes relativistic stereometry, which, together with relativistic positioning systems, allows to introduce the general relativistic notion of (finite) laboratory (space-time region able to perform experiments of finite size).

Coherent radiation from atoms and a channeled particle

International Nuclear Information System (INIS)

Epp, V.; Sosedova, M.A.

2013-01-01

Highlights: ► Impact of coherent atoms vibrations on radiation of a channeled particle is studied. ► Resonant amplification of atomic radiation is possible under certain conditions. ► Radiation of vibrating atoms forms an intense narrow peak in angular distribution. ► Radiation of atoms on resonance conditions is higher than that of channeled particle. -- Abstract: A new mechanism of radiation emitted at channeling of a relativistic charged particle in a crystal is studied. The superposition of coherent radiation from atoms, which are excited to vibrate in the crystal lattice by a channeled charged particle, with the ordinary channeling radiation is considered. It is shown that the coherent radiation from a chain of oscillating atoms forms a resonance peak on the tail of radiation emitted by the channeled particle

Atomic structure of a metal-supported two-dimensional germania film

Science.gov (United States)

Lewandowski, Adrián Leandro; Schlexer, Philomena; Büchner, Christin; Davis, Earl M.; Burrall, Hannah; Burson, Kristen M.; Schneider, Wolf-Dieter; Heyde, Markus; Pacchioni, Gianfranco; Freund, Hans-Joachim

2018-03-01

The growth and microscopic characterization of two-dimensional germania films is presented. Germanium oxide monolayer films were grown on Ru(0001) by physical vapor deposition and subsequent annealing in oxygen. We obtain a comprehensive image of the germania film structure by combining intensity-voltage low-energy electron diffraction (I/V-LEED) and ab initio density functional theory (DFT) analysis with atomic-resolution scanning tunneling microscopy (STM) imaging. For benchmarking purposes, the bare Ru(0001) substrate and the (2 ×2 )3 O covered Ru(0001) were analyzed with I/V-LEED with respect to previous reports. STM topographic images of the germania film reveal a hexagonal network where the oxygen and germanium atom positions appear in different imaging contrasts. For quantitative LEED, the best agreement has been achieved with DFT structures where the germanium atoms are located preferentially on the top and fcc hollow sites of the Ru(0001) substrate. Moreover, in these atomically flat germania films, local site geometries, i.e., tetrahedral building blocks, ring structures, and domain boundaries, have been identified, indicating possible pathways towards two-dimensional amorphous networks.

Relativistic Green function for atomic and molecular systems

Energy Technology Data Exchange (ETDEWEB)

Gruzdev, P.F.; Sherstyuk, A.I.

1981-12-01

The problem on Green function construction of Dirac equation is solved for a wide class of single electron potentials in the atom and molecule theory. The solution is obtained in the form of a spectrum analysis according to the total system of eigenfuctions of the generalized Dirac problem for eigenvalues. The problem possesses a purely discrete spectrum.

Relativistic heavy ion physics

International Nuclear Information System (INIS)

Hill, J.C.; Wohn, F.K.

1992-01-01

In 1992 a proposal by the Iowa State University experimental nuclear physics group entitled ''Relativistic Heavy Ion Physics'' was funded by the US Department of Energy, Office of Energy Research, for a three-year period beginning November 15, 1991. This is a progress report for the first six months of that period but, in order to give a wider perspective, we report here on progress made since the beginning of calendar year 1991. In the first section, entitled ''Purpose and Trends,'' we give some background on the recent trends in our research program and its evolution from an emphasis on nuclear structure physics to its present emphasis on relativistic heavy ion and RHIC physics. The next section, entitled, ''Physics Research Programs,'' is divided into three parts. First, we discuss our participation in the program to develop a large detector named PHENIX for the RHIC accelerator. Second, we outline progress made in the study of electromagnetic dissociation (ED). A highlight of this endeavor is experiments carried out with the 197 Au beam from the AGS accelerator in April 1991. Third, we discuss progress in completion of our nuclear structure studies. In the final section a list of publications, invited talks and contributed talks starting in 1991 is given

Local atomic structure of α-Pu

International Nuclear Information System (INIS)

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

2001-01-01

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

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

International Nuclear Information System (INIS)

Lusanna, Luca

2011-01-01

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.

A calculation technique of passing of a powerful relativistic beam through substance

International Nuclear Information System (INIS)

Pobitko, A.I.; Sal'nikov, L.I.; Sukhovitskij, E.Sh.

1995-01-01

The calculation algorithm of passing powerful relativistic beam through substance is developed. Algorithm of calculation is separated on the following problems: 1) a trial charge movement in electromagnetic field of the cylindrical geometry; 2) a computing of own electromagnetic field arising at movement of a particle heavy-current beam in a target; 3) accounting of an interaction of a beam with target atoms; 4) accounting of change of the target properties in a time; 5) geometry and construction of an iterative procedure of calculation. The calculation of passing heavy-current beams of charged particles for transient case is carried out by Monte Carlo method. A conclusion of equations of movement trial charge and technique of calculation own electromagnetic field of the powerful relativistic beam at passing through substance are resulted. 6 refs

Request for Support for the Conference on Super Intense Laser Atom Physics

International Nuclear Information System (INIS)

Todd Ditmire

2004-01-01

The Conference on Super Intense Laser Atom Physics (SILAP) was held in November 2003 in Dallas, Texas. The venue for the meeting was South Fork Ranch in the outskirts of Dallas. The topics of the meeting included high harmonic generation and attosecond pulse generation, strong field interactions with molecules and clusters, particle acceleration, and relativistic laser atom interactions

Finding the Atomic Configuration with a Required Physical Property in Multi-Atom Structures

International Nuclear Information System (INIS)

d'Avezac, M.; Zunger, A.

2007-01-01

In many problems in molecular and solid state structures one seeks to determine the energy-minimizing decoration of sites with different atom types. In other problems, one is interested in finding a decoration with a target physical property (e.g. alloy band gap) within a certain range. In both cases, the sheer size of the configurational space can be horrendous. We present two approaches which identify either the minimum-energy configuration or configurations with a target property for a fixed underlying Bravais lattice. We compare their efficiency at locating the deepest minimum energy configuration of face centered cubic Au-Pd alloy. We show that a global-search genetic-algorithm approach with diversity-enhancing constraints and reciprocal-space mating can efficiently find the global optimum, whereas the local-search virtual-atom approach presented here is more efficient at finding structures with a target property

Atomic structures and mechanical properties of single-crystal GaN nanotubes

International Nuclear Information System (INIS)

Xu, B.; Lu, A.J.; Pan, B.C.; Yu, Q.X.

2005-01-01

An approach is proposed to theoretically construct a realistic single-crystal GaN nanotube at atomic scale. The generated atomic structures of the single-crystal GaN nanotubes match the structural aspects from experiment very well. Our energetic calculations show that a single-crystal GaN nanotube with [100]-oriented lateral facets is more stable than that with [110]-oriented lateral facets, when they have around the same wall thickness. For a specified orientation of the lateral facets on the single-crystal GaN nanotubes, the energetic stabilities of the tubes obey a P rule, in which P is the ratio of the number of four-coordinated atoms to the number of three-coordinated atoms. Furthermore, the Young's modulus of the considered GaN nanotubes decrease with increasing the ratio of the number of bulk atoms to the number of surface atoms in each type of tube. Our calculations and analysis demonstrate that the surface effect of a single-crystal nanotube enhances its Young's modulus significantly

Relativistic klystrons for high-gradient accelerators

International Nuclear Information System (INIS)

Westenskow, G.A.; Aalberts, D.P.; Boyd, J.K.; Deis, G.A.; Houck, T.L.; Orzechowski, T.J.; Ryne, R.D.; Yu, S.S.; Allen, M.A.; Callin, R.S.; Deruyter, H.; Eppley, K.R.; Fant, K.S.; Fowkes, W.R.; Hoag, H.A.; Koontz, R.F.; Lavine, T.L.; Loew, G.A.; Miller, R.H.; Ruth, R.D.; Vlieks, A.E.; Wang, J.W.; Hopkins, D.B.; Sessler, A.M.; Haimson, J.; Mecklenburg, B.

1991-01-01

Experimental work is being performed by collaborators at LLNL, SLAC, and LBL to investigate relativistic klystrons as a possible rf power source for future high-gradient accelerators. The authors have learned how to overcome their previously reported problem of high power rf pulse shortening and have achieved peak rf power levels of 330 MW using an 11.4-GHz high-gain tube with multiple output structures. In these experiments the rf pulse is of the same duration as the beam current pulse. In addition, experiments have been performed on two short sections of a high-gradient accelerator using the rf power from a relativistic klystron. An average accelerating gradient of 84 MV/m has been achieved with 80-MW of rf power

Atomic structure of self-organizing iridium induced nanowires on Ge(001)

Energy Technology Data Exchange (ETDEWEB)

Kabanov, N.S., E-mail: n.kabanov@utwente.nl [Faculty of Physics, Moscow State University, 119991 (Russian Federation); Physics of Interfaces and Nanomaterials, MESA+ Institute for Nanotechnology, University of Twente, P. O. Box 217, Enschede 7500 AE (Netherlands); Heimbuch, R.; Zandvliet, H.J.W. [Physics of Interfaces and Nanomaterials, MESA+ Institute for Nanotechnology, University of Twente, P. O. Box 217, Enschede 7500 AE (Netherlands); Saletsky, A.M.; Klavsyuk, A.L. [Faculty of Physics, Moscow State University, 119991 (Russian Federation)

2017-05-15

Highlights: • Ir/Ge(001) structure has been studied with DFT calculations and scanning tunneling microscopy. • Ir/Ge(001) nanowires are composed of Ge atoms and Ir atoms are located in subsurface positions. • The regions in the vicinity of the nanowires are very dynamic, even at temperatures as low as 77 K. - Abstract: The atomic structure of self-organizing iridium (Ir) induced nanowires on Ge(001) is studied by density functional theory (DFT) calculations and variable-temperature scanning tunneling microscopy. The Ir induced nanowires are aligned in a direction perpendicular to the Ge(001) substrate dimer rows, have a width of two atoms and are completely kink-less. Density functional theory calculations show that the Ir atoms prefer to dive into the Ge(001) substrate and push up the neighboring Ge substrate atoms. The nanowires are composed of Ge atoms and not Ir atoms as previously assumed. The regions in the vicinity of the nanowires are very dynamic, even at temperatures as low as 77 K. Time-resolved scanning tunneling microscopy measurements reveal that this dynamics is caused by buckled Ge substrate dimers that flip back and forth between their two buckled configurations.

Few atom chemistry of the trans actinide element rutherfordium (Rf)

International Nuclear Information System (INIS)

Nagame, Y.

2002-01-01

Studies of chemical properties of the trans actinide elements - starting with element 104 (Rf) - offer the unique opportunity to obtain information about trends in the Periodic Table at the limits of nuclear stability and to assess the magnitude of the influence of relativistic effects on chemical properties. To explore experimentally the influence of relativistic effects of electron shell structure, we study the chemical properties of the trans actinide elements. So far, we have developed some experimental apparatuses for the study of chemical properties of the trans actinide elements: a beam-line safety system for the usage of the gas-jet coupled radioactive 248 Cm target chamber for the production of trans actinides, a rotating wheel catcher apparatus for the measurement of α particles and spontaneous fission decay of trans actinides and an automated rapid chemical separation apparatus based on high performance liquid chromatography. The trans actinide nuclide, the element 104, 261 Rf (t 1/2 = 78 s) has been successfully produced via the reactions of 248 Cm( 18 O,5n) at the JAERI (Japan Atomic Energy Research Institute) tandem accelerator. The evaluated production cross section was about 10 nb, indicating that the production rate was approximately 2 atoms per min. Because of the short half-life and the low production rate of Rf, each atom produced decays before a new atom is synthesized. It means that any chemistry to be performed must be done on an 'atom-at-a-time' basis. Therefore rapid, very efficient and selective chemical procedures are indispensable to isolate the desired trans actinide 261 Rf. To perform fast and repetitive ion-exchange separation of Rf, we have developed the apparatus AIDA (Automated Ion exchange separation system coupled with the Detection apparatus for Alpha spectroscopy). Recently, ion-exchange behavior of Rf in acidic solutions has been studied with AIDA, and the results indicate that anion-exchange behavior of Rf is quite similar

Relativistic Descriptions of Few-Body Systems

International Nuclear Information System (INIS)

Karmanov, V. A.

2011-01-01

A brief review of relativistic effects in few-body systems, of theoretical approaches, recent developments and applications is given. Manifestations of relativistic effects in the binding energies, in the electromagnetic form factors and in three-body observables are demonstrated. The three-body forces of relativistic origin are also discussed. We conclude that relativistic effects in nuclei can be important in spite of small binding energy. At high momenta they clearly manifest themselves and are necessary to describe the deuteron e.m. form factors. At the same time, there is still a discrepancy in three-body observables which might be a result of less clarity in understanding the corresponding relativistic effects, the relativistic NN kernel and the three-body forces. Relativistic few-body physics remains to be a field of very intensive and fruitful researches. (author)

Two-photon decay of K-shell vacancy states in heavy atoms

International Nuclear Information System (INIS)

Ilakovac, K.; Uroic, M.; Majer, M.; Pasic, S.; Vukovic, B.

2006-01-01

Two-photon decay has been extensively studied in atomic, nuclear and particle physics since the 1930s when the problem of stability of the 2s state of the hydrogen atom emerged. Since then, many theoretical and experimental investigations have been made on hydrogen and one-electron (H-like) ions and on helium and two-electron (He-like) ions. The work on two-photon decay in many-electron systems involving inner shells started about 30 years ago and, in the meantime, two-photon decay of the K-shell vacancy state has been the subject of many theoretical and experimental studies. Experimental results have been obtained for 2s->1s and higher-state electron ->1s two-photon transitions in molybdenum, and for 2s -> 1s, 3s -> 1s, 3d -> 1s and 4sd -> 1s two-photon transitions in silver, xenon, hafnium and mercury. Nonrelativistic and relativistic calculations of the processes have been made. The relativistic calculations for transitions in molybdenum, silver and xenon atoms are in a reasonable agreement with the experimental results, but some problems remain to be solved. A review of investigations of two-photon transitions in atomic systems is presented

When Anatase Nanoparticles Become Bulklike: Properties of Realistic TiO2 Nanoparticles in the 1-6 nm Size Range from All Electron Relativistic Density Functional Theory Based Calculations.

Science.gov (United States)

Lamiel-Garcia, Oriol; Ko, Kyoung Chul; Lee, Jin Yong; Bromley, Stefan T; Illas, Francesc

2017-04-11

All electron relativistic density functional theory (DFT) based calculations using numerical atom-centered orbitals have been carried out to explore the relative stability, atomic, and electronic structure of a series of stoichiometric TiO 2 anatase nanoparticles explicitly containing up to 1365 atoms as a function of size and morphology. The nanoparticles under scrutiny exhibit octahedral or truncated octahedral structures and span the 1-6 nm diameter size range. Initial structures were obtained using the Wulff construction, thus exhibiting the most stable (101) and (001) anatase surfaces. Final structures were obtained from geometry optimization with full relaxation of all structural parameters using both generalized gradient approximation (GGA) and hybrid density functionals. Results show that, for nanoparticles of a similar size, octahedral and truncated octahedral morphologies have comparable energetic stabilities. The electronic structure properties exhibit a clear trend converging to the bulk values as the size of the nanoparticles increases but with a marked influence of the density functional employed. Our results suggest that electronic structure properties, and hence reactivity, for the largest anatase nanoparticles considered in this study will be similar to those exhibited by even larger mesoscale particles or by bulk systems. Finally, we present compelling evidence that anatase nanoparticles become effectively bulklike when reaching a size of ∼20 nm diameter.

Electron induced atomic inner-shell ionization

International Nuclear Information System (INIS)

Quarles, C.A.

1974-01-01

The current status of cross section measurements for atomic inner-shell ionization by electron bombardment is reviewed. Inner shell ionization studies using electrons as projectiles compliment the similar studies being done with heavy particles, and in addition can provide tests of the theory in those cases when relativistic effects and exchange effects are expected to be important. Both total cross sections and recently measured differential cross sections will be discussed and compared with existing theories where possible. Prospects for further experimental and theoretical work in this area of atomic physics using small electron accelerators will also be discussed

Stellar structure and compact objects before 1940: Towards relativistic astrophysics

Science.gov (United States)

Bonolis, Luisa

2017-06-01

Since the mid-1920s, different strands of research used stars as "physics laboratories" for investigating the nature of matter under extreme densities and pressures, impossible to realize on Earth. To trace this process this paper is following the evolution of the concept of a dense core in stars, which was important both for an understanding of stellar evolution and as a testing ground for the fast-evolving field of nuclear physics. In spite of the divide between physicists and astrophysicists, some key actors working in the cross-fertilized soil of overlapping but different scientific cultures formulated models and tentative theories that gradually evolved into more realistic and structured astrophysical objects. These investigations culminated in the first contact with general relativity in 1939, when J. Robert Oppenheimer and his students George Volkoff and Hartland Snyder systematically applied the theory to the dense core of a collapsing neutron star. This pioneering application of Einstein's theory to an astrophysical compact object can be regarded as a milestone in the path eventually leading to the emergence of relativistic astrophysics in the early 1960s.

Magnetic moments in present relativistic nuclear theories: a mean-field problem

International Nuclear Information System (INIS)

Desplanques, B.

1986-07-01

We show that the magnetic moments of LS closed shell nuclei plus or minus one nucleon derived from non-relativistic Hartree-Fock mean-fields are as bad as those obtained in relativistic approaches of nuclear structure. Deviations with respect to more complete results in both cases are ascribed to the mean-field approximation which neglects some degrees of freedom in the nucleus description. 18 refs

Volume and surface photoemission from tungsten. I. Calculation of band structure and emission spectra

DEFF Research Database (Denmark)

Christensen, N. Egede; Feuerbacher, B.

1974-01-01

is obtained from an ad hoc potential based on a Dirac-Slater atomic calculation for the ground-state configuration and with full Slater exchange in the atomic as well as in the crystal potential. The selection of this best potential is justified by comparing the calculated band structure to Fermi...... of states. The present work includes a crude estimate of this surface density of states, which is derived from the bulk band structure by narrowing the d bands according to an effective number of neighbors per surface atom. Estimates of surface relaxation effects are also included.......The electronic energy-band structure of tungsten has been calculated by means of the relativistic-augmented-plane-wave method. A series of mutually related potentials are constructed by varying the electronic configuration and the amount of Slater exchange included. The best band structure...

Sensitivity of relativistic impulse approximation proton-nucleus elastic scattering calculations on relativistic mean-field parameterizations

International Nuclear Information System (INIS)

Hojsik, M.; Gmuca, S.

1998-01-01

Relativistic microscopic calculations are presented for proton elastic scattering from 40 Ca at 500 MeV. The underlying target densities are calculated within the framework of the relativistic mean-field theory with several parameter sets commonly in use. The self consistency of the scalar and vector densities (and thus to relativistic mean-field parameters) is investigated. Recently, the relativistic impulse approximation (RIA) has been widely and repeatedly used for the calculations of proton-nucleus scattering at intermediate energies. These calculations have exhibited significant improvements over the nonrelativistic approaches. The relativistic impulse approximation calculations. in particular, provide a dramatically better description of the spin observables, namely the analyzing power, A y , and the spin-rotation function, Q, at least for energies higher than 400 MeV. In the relativistic impulse approximation, the Dirac optical potential is obtained by folding of the local Lorentz-invariant amplitudes with the corresponding nuclear densities. For the spin zero targets the scalar and vector terms give the dominant contributions. Thus the scalar and vector nuclear densities (both, proton and neutron ones) play the dominant role in the relativistic impulse approximation. While the proton vector densities can be obtained by unfolding from the empirically known charge densities, all other densities used rely to a great extent on theoretical models. The various recipes are used to construct the neutron vector densities and the scalar densities for both, neutrons and protons. In this paper we will study the sensitivity of the relativistic impulse approximation results on the various sets of relativistic mean-field parameters currently in use

Relativistic Band Calculation and the Optical Properties of Gold

DEFF Research Database (Denmark)

Christensen, N Egede; Seraphin, B. O.

1971-01-01

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......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...... to trace out the regions in k→ space where the edge and tail transitions occur. It is demonstrated that structure in the static reflection curves are not related to critical points in the band structure. The arguments are supported by calculations of temperature shifts of the critical-point energies...

Temperature dependent XAFS studies of local atomic structure of the perovskite-type zirconates

International Nuclear Information System (INIS)

Vedrinskii, R. V.; Lemeshko, M. P.; Novakovich, A. A.; Nazarenko, E. S.; Nassif, V.; Proux, O.; Joly, Y.

2006-01-01

Temperature dependent preedge and extended x-ray absorption fine structure measurements at the Zr K edge for the perovskite-type zirconates PbZr 0.515 Ti 0.485 O 3 (PZT), PbZrO 3 (PZ), and BaZrO 3 are performed. To carry out a more accurate study of the weak reconstruction of the local atomic structure we employed a combination of two techniques: (i) analysis of the preedge fine structure, and (ii) analysis of the Fourier transform of the difference between χ(k) functions obtained at different temperatures. A detailed investigation of local atomic structure in the cubic phase for all the crystals is also performed. It is shown that neither the displacive nor the order-disorder model can describe correctly the changes of local atomic structure during phase transitions in PZ and PZT. A spherical model describing the local atomic structure of perovskite-type crystals suffering structural phase transitions is proposed

Influence of relativistic effect on chemical properties of element 104; Wplyw efektu relatywistycznego na wlasnosci chemiczne pierwiastka 104

Energy Technology Data Exchange (ETDEWEB)

Bilewicz, A.

1997-12-31

The influence of relativistic effect upon chemical properties of element 104 is discussed. An original method of measurements of adsorption on the surface of thin film of cobalt ferrocyanate was developed and applied for the studies of 104{sup 4+} hydrolysis. Results of this experiments indicate that in the Group 4 tendency to hydrolysis decreases in the order 104{sup 4+}>Zr{sup 4+}>Hf{sup 4+}. The results were explained on the basis of relativistic effect. Unexpected chemical properties of element 104 in aqueous solutions indicate, that due to relativistic effect element 104 differs distinctly from its congeners - Zr and Hf. In contrary it becomes similar to the lightest element in the Group, Ti, through atomic mass of latter is 213 unit less. (author). 119 refs, 22 figs, 7 tabs.

Protein crystal structure analysis using synchrotron radiation at atomic resolution

International Nuclear Information System (INIS)

Nonaka, Takamasa

1999-01-01

We can now obtain a detailed picture of protein, allowing the identification of individual atoms, by interpreting the diffraction of X-rays from a protein crystal at atomic resolution, 1.2 A or better. As of this writing, about 45 unique protein structures beyond 1.2 A resolution have been deposited in the Protein Data Bank. This review provides a simplified overview of how protein crystallographers use such diffraction data to solve, refine, and validate protein structures. (author)

Synthesis and atomic structure determination of Al8V5 gamma-brass

International Nuclear Information System (INIS)

Mizutani, Uichiro

2006-01-01

Many structurally complex compounds like quasicrystals and their approximants are known to be stabilized at a particular electron per atom ratio e/a, regardless of constituent elements involved. This has been often referred to as the Hume-Rothery electron concentration rule. We consider the understanding of the Hume-Rothery stabilization mechanism to be best deepened by performing both ab initio LMTO-ASA and FLAPW band calculations for the complex compound whose atomic structure is experimentally determined. Admittedly, however, a computing time increases rapidly beyond practical level with increasing the number of atoms in a unit cell. Among various candidates, we chose a series of gamma-brasses containing 52 atoms in a unit cell by taking a full advantage of the facts that it exists in as many as 24 binary alloy systems and that its unit cell is just in size to be handled even in more time-consuming FLAPW method. We have so far studied the stability mechanism of Cu 5 Zn 8 and Cu 9 Al 4 , both being regarded as its prototype, and TM 2 Zn 11 gamma-brasses containing late transition elements TM=Fe, Co, Ni and Pd. In the present work, we chose the gamma-brass consisting of early transition metal element V and trivalent element Al. An almost single phase Al 8 V 5 gamma-brass was ultimately synthesized by overcoming metallurgical difficulties encountered. Its atomic structure was determined by using the Brandon model as a starting structure in the Rietveld structure analysis for powdered diffraction spectra taken at the beam line BL02B2 of 8 GeV synchrotron radiation facility, SPring-8, Japan. The atomic structure suitable for band calculations was then proposed by eliminating quenched-in chemical disorder, i.e., partial mixing of Al and V atoms at given sites with minimum sacrifice. (author)

The variational method in the atomic structure calcularion

International Nuclear Information System (INIS)

Tomimura, A.

1970-01-01

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

The relativistic virial theorem

International Nuclear Information System (INIS)

Lucha, W.; Schoeberl, F.F.

1989-11-01

The relativistic generalization of the quantum-mechanical virial theorem is derived and used to clarify the connection between the nonrelativistic and (semi-)relativistic treatment of bound states. 12 refs. (Authors)

The E1 transitions in kaonic atoms

International Nuclear Information System (INIS)

Qureshi, I.E.

1984-01-01

The electric dipole transition rates in kanonic atoms are calculated by using distorted relativistic wave functions. The kaon-nucleus strong interaction which is responsible for the distortion of atomic states is considered to be proportional to the nuclear density and the effective isospin-averaged kaon-nucleon scattering length. Six atoms have been studied for which the last observed X-rays correspond to 3d-2p, 4f-3d, 5g-4f, 6h-5g, 7i-6h and 8j-7i transitions. It is found that the electric dipole transition rate is enhanced by an amount (0.3-7.6)x10 13 s -1 . (orig.)

Interplanetary Magnetic Field Guiding Relativistic Particles

Science.gov (United States)

Masson, S.; Demoulin, P.; Dasso, S.; Klein, K. L.

2011-01-01

The origin and the propagation of relativistic solar particles (0.5 to few Ge V) in the interplanetary medium remains a debated topic. These relativistic particles, detected at the Earth by neutron monitors have been previously accelerated close to the Sun and are guided by the interplanetary magnetic field (IMF) lines, connecting the acceleration site and the Earth. Usually, the nominal Parker spiral is considered for ensuring the magnetic connection to the Earth. However, in most GLEs the IMF is highly disturbed, and the active regions associated to the GLEs are not always located close to the solar footprint of the nominal Parker spiral. A possible explanation is that relativistic particles are propagating in transient magnetic structures, such as Interplanetary Coronal Mass Ejections (ICMEs). In order to check this interpretation, we studied in detail the interplanetary medium where the particles propagate for 10 GLEs of the last solar cycle. Using the magnetic field and the plasma parameter measurements (ACE/MAG and ACE/SWEPAM), we found widely different IMF configurations. In an independent approach we develop and apply an improved method of the velocity dispersion analysis to energetic protons measured by SoHO/ERNE. We determined the effective path length and the solar release time of protons from these data and also combined them with the neutron monitor data. We found that in most of the GLEs, protons propagate in transient magnetic structures. Moreover, the comparison between the interplanetary magnetic structure and the interplanetary length suggest that the timing of particle arrival at Earth is dominantly determined by the type of IMF in which high energetic particles are propagating. Finally we find that these energetic protons are not significantly scattered during their transport to Earth.

Particle Interferometry for Relativistic Heavy-Ion Collisions

CERN Document Server

Wiedemann, Urs Achim; Wiedemann, Urs Achim; Heinz, Ulrich

1999-01-01

In this report we give a detailed account on Hanbury Brown/Twiss (HBT) particle interferometric methods for relativistic heavy-ion collisions. These exploit identical two-particle correlations to gain access to the space-time geometry and dynamics of the final freeze-out stage. The connection between the measured correlations in momentum space and the phase-space structure of the particle emitter is established, both with and without final state interactions. Suitable Gaussian parametrizations for the two-particle correlation function are derived and the physical interpretation of their parameters is explained. After reviewing various model studies, we show how a combined analysis of single- and two-particle spectra allows to reconstruct the final state of relativistic heavy-ion collisions.

Atomic structure of machined semiconducting chips: An x-ray absorption spectroscopy study

Energy Technology Data Exchange (ETDEWEB)

Paesler, M.; Sayers, D.

1988-12-01

X-ray absorption spectroscopy (XAS) has been used to examine the atomic structure of chips of germanium that were produced by single point diamond machining. It is demonstrated that although the local (nearest neighbor) atomic structure is experimentally quite similar to that of single crystal specimens information from more distant atoms indicates the presence of considerable stress. An outline of the technique is given and the strength of XAS in studying the machining process is demonstrated.

Local atomic structure in tetragonal pure ZrO{sub 2} nanopowders

Energy Technology Data Exchange (ETDEWEB)

Acuna, Leandro M.; Lamas, Diego G.; Fuentes, Rodolfo O.; Fabregas, Ismael O. [CITEFA-CONICET, Villa Martelli, Provincia de Buenos Aires (AR). CINSO (Centro de Investigaciones en Solidos); Fantini, Marcia C.A.; Craievich, Aldo F. [Universidade de Sao Paulo (Brazil). Inst. de Fisica; Prado, Rogerio J. [Universidade Federal de Mato Grosso (UFMT), Cuiaba (Brazil). Inst. de Fisica

2010-04-15

The local atomic structures around the Zr atom of pure (undoped) ZrO{sub 2} nanopowders with different average crystallite sizes, ranging from 7 to 40 nm, have been investigated. The nanopowders were synthesized by different wetchemical routes, but all exhibit the high-temperature tetragonal phase stabilized at room temperature, as established by synchrotron radiation X-ray diffraction. The extended X-ray absorption fine structure (EXAFS) technique was applied to analyze the local structure around the Zr atoms. Several authors have studied this system using the EXAFS technique without obtaining a good agreement between crystallographic and EXAFS data. In this work, it is shown that the local structure of ZrO{sub 2} nanopowders can be described by a model consisting of two oxygen subshells (4+4 atoms) with different Zr-O distances, in agreement with those independently determined by X-ray diffraction. However, the EXAFS study shows that the second oxygen subshell exhibits a Debye-Waller (DW) parameter much higher than that of the first oxygen subshell, a result that cannot be explained by the crystallographic model accepted for the tetragonal phase of zirconia-based materials. However, as proposed by other authors, the difference in the DW parameters between the two oxygen subshells around the Zr atoms can be explained by the existence of oxygen displacements perpendicular to the z direction; these mainly affect the second oxygen subshell because of the directional character of the EXAFS DW parameter, in contradiction to the crystallographic value. It is also established that this model is similar to another model having three oxygen subshells, with a 4+2+2 distribution of atoms, with only one DW parameter for all oxygen subshells. Both models are in good agreement with the crystal structure determined by X-ray diffraction experiments. (orig.)

Existence of a ground state for the confined hydrogen atom in non-relativistic QED

International Nuclear Information System (INIS)

Amour, Laurent; Faupin, Jeremy

2008-01-01

We consider a system of a hydrogen atom interacting with the quantized electromagnetic field. Instead of fixing the nucleus, we assume that the system is confined by its center of mass. This model is used in theoretical physics to explain the Lamb-Dicke effect. After a brief review of the literature, we explain how to verify some properly chosen binding conditions which lead to the existence of a ground state for our model, and for all values of the fine-structure constant

Pierce-type dispersion relation for an intense relativistic electron beam interacting with a slow-wave structure

International Nuclear Information System (INIS)

Chen, C.

1994-01-01

A Pierce-type dispersion relation is derived for the interaction of an intense relativistic electron beam with a cylindrical slow-wave structure of arbitrary corrugation depth. It is shown that near a resonance, the Pierce parameter can be expressed in terms of the vacuum dispersion function and the beam current. The dispersion relation is valid in both the low-current (Compton) regime and the high-current (Raman) regime. The dispersion characteristics of the interaction, such as the linear instability growth rate and bandwidth, are analyzed for both regimes

Relativistic N-body simulations with massive neutrinos

Science.gov (United States)

Adamek, Julian; Durrer, Ruth; Kunz, Martin

2017-11-01

Some of the dark matter in the Universe is made up of massive neutrinos. Their impact on the formation of large scale structure can be used to determine their absolute mass scale from cosmology, but to this end accurate numerical simulations have to be developed. Due to their relativistic nature, neutrinos pose additional challenges when one tries to include them in N-body simulations that are traditionally based on Newtonian physics. Here we present the first numerical study of massive neutrinos that uses a fully relativistic approach. Our N-body code, gevolution, is based on a weak-field formulation of general relativity that naturally provides a self-consistent framework for relativistic particle species. This allows us to model neutrinos from first principles, without invoking any ad-hoc recipes. Our simulation suite comprises some of the largest neutrino simulations performed to date. We study the effect of massive neutrinos on the nonlinear power spectra and the halo mass function, focusing on the interesting mass range between 0.06 eV and 0.3 eV and including a case for an inverted mass hierarchy.

Atomic and electronic structure of exfoliated black phosphorus

International Nuclear Information System (INIS)

Wu, Ryan J.; Topsakal, Mehmet; Jeong, Jong Seok; Wentzcovitch, Renata M.; Mkhoyan, K. Andre; Low, Tony; Robbins, Matthew C.; Haratipour, Nazila; Koester, Steven J.

2015-01-01

Black phosphorus, a layered two-dimensional crystal with tunable electronic properties and high hole mobility, is quickly emerging as a promising candidate for future electronic and photonic devices. Although theoretical studies using ab initio calculations have tried to predict its atomic and electronic structure, uncertainty in its fundamental properties due to a lack of clear experimental evidence continues to stymie our full understanding and application of this novel material. In this work, aberration-corrected scanning transmission electron microscopy and ab initio calculations are used to study the crystal structure of few-layer black phosphorus. Directly interpretable annular dark-field images provide a three-dimensional atomic-resolution view of this layered material in which its stacking order and all three lattice parameters can be unambiguously identified. In addition, electron energy-loss spectroscopy (EELS) is used to measure the conduction band density of states of black phosphorus, which agrees well with the results of density functional theory calculations performed for the experimentally determined crystal. Furthermore, experimental EELS measurements of interband transitions and surface plasmon excitations are also consistent with simulated results. Finally, the effects of oxidation on both the atomic and electronic structure of black phosphorus are analyzed to explain observed device degradation. The transformation of black phosphorus into amorphous PO 3 or H 3 PO 3 during oxidation may ultimately be responsible for the degradation of devices exposed to atmosphere over time

Contraint's theory and relativistic dynamics

International Nuclear Information System (INIS)

Longhi, G.; Lusanna, L.

1987-01-01

The purpose of this Workshop was to examine the current situation of relativistic dynamics. In particular, Dirac-Bergmann's theory of constraints, which lies at the heart of gauge theories, general relativity, relativistic mechanics and string theories, was chosen as the unifying theoretical framework best suited to investigate such a field. The papers discussed were on general relativity; relativistic mechanics; particle physics and mathematical physics. Also discussed were the problems of classical and quantum level, namely the identification of the classical observables of constrained systems, the equivalence of the nonequivalence of the various ways to quantize such systems; the problem of the anomalies; the best geometrical approach to the theory of constraints; the possibility of unifying all the treatments of relativistic mechanics. This book compiles the papers presented at proceedings of relativistic dynamics and constraints theory

Multiwavelength Observations of Relativistic Jets from General Relativistic Magnetohydrodynamic Simulations

Directory of Open Access Journals (Sweden)

Richard Anantua

2018-03-01

Full Text Available This work summarizes a program intended to unify three burgeoning branches of the high-energy astrophysics of relativistic jets: general relativistic magnetohydrodynamic (GRMHD simulations of ever-increasing dynamical range, the microphysical theory of particle acceleration under relativistic conditions, and multiwavelength observations resolving ever-decreasing spatiotemporal scales. The process, which involves converting simulation output into time series of images and polarization maps that can be directly compared to observations, is performed by (1 self-consistently prescribing models for emission, absorption, and particle acceleration and (2 performing time-dependent polarized radiative transfer. M87 serves as an exemplary prototype for this investigation due to its prominent and well-studied jet and the imminent prospect of learning much more from Event Horizon Telescope (EHT observations this year. Synthetic observations can be directly compared with real observations for observational signatures such as jet instabilities, collimation, relativistic beaming, and polarization. The simplest models described adopt the standard equipartition hypothesis; other models calculate emission by relating it to current density or shear. These models are intended for application to the radio jet instead of the higher frequency emission, the disk and the wind, which will be subjects of future investigations.

An introduction to relativistic hydrodynamics

Energy Technology Data Exchange (ETDEWEB)

Font, Jose A [Departamento de AstronomIa y AstrofIsica, Universidad de Valencia, Dr. Moliner 50, 46100 Burjassot (Valencia) (Spain)

2007-11-15

We review formulations of the equations of (inviscid) general relativistic hydrodynamics and (ideal) magnetohydrodynamics, along with methods for their numerical solution. Both systems can be cast as first-order, hyperbolic systems of conservation laws, following the explicit choice of an Eulerian observer and suitable fluid and magnetic field variables. During the last fifteen years, the so-called (upwind) high-resolution shock-capturing schemes based on Riemann solvers have been successfully extended from classical to relativistic fluid dynamics, both special and general. Nowadays, general relativistic hydrodynamical simulations in relativistic astrophysics are routinely performed, particularly within the test-fluid approximation but also for dynamical spacetimes. While such advances also hold true in the case of the MHD equations, the astrophysical applications investigated so far are still limited, yet the field is bound to witness major developments in the near future. The article also presents a brief overview of numerical techniques, providing state-of-the-art examples of their applicability to general relativistic fluids and magneto-fluids in characteristic scenarios of relativistic astrophysics.

Computer Simulation of Atoms Nuclei Structure Using Information Coefficients of Proportionality

OpenAIRE

Labushev, Mikhail M.

2012-01-01

The latest research of the proportionality of atomic weights of chemical elements made it possible to obtain 3 x 3 matrices for the calculation of information coefficients of proportionality Ip that can be used for 3D modeling of the structure of atom nucleus. The results of computer simulation show high potential of nucleus structure research for the characterization of their chemical and physical properties.

Ionisation of hydrogen-like atoms by a multiphoton absorption process; Ionisation des atomes hydrogenoides par un processus d'absorption multiphotonique

Energy Technology Data Exchange (ETDEWEB)

Gontier, Y; Trahin, M [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires

1967-07-01

The general expression for the amplitude of the probability of ionisation by a multiphoton absorption process is derived. Its non-relativistic limit is taken and the bipolar approximation is used for calculating the ionisation cross-section of hydrogen-like atoms. This latter involves the summation over intermediate virtual states by means of: a) a recursion relationship concerning angular functions, b) a particular technique which when applied to radial functions makes it possible to solve a system of inhomogeneous first-order differential equations. (authors) [French] On etablit l'expression generale de l'amplitude de probabilite d'ionisation par un processus d'absorption multiphotonique. On en prend la limite non-relativiste et l'on utilise l'approximation dipolaire avant de calculer la section efficace d'ionisation d'atomes hydrogenoides. Cette derniere fait intervenir des sommations sur des etats virtuels intermediaires effectuees a l'aide: a) d'une relation de recurrence qui concerne les fonctions angulaires, b) d'une technique particuliere qui, appliquee aux fonctions radiales, conduit a resoudre un systeme d'equations differentielles inhomogenes du premier ordre. (auteur)

Measuring the cosmological background of relativistic particles with WMAP

CERN Document Server

Crotty, P; Pastor, S; Crotty, Patrick; Lesgourgues, Julien; Pastor, Sergio

2003-01-01

We show that the first year results of the Wilkinson Microwave Anisotropy Probe (WMAP) constrain very efficiently the energy density in relativistic particles in the universe. We derive new bounds on additional relativistic degrees of freedom expressed in terms of an excess in the effective number of light neutrinos Delta N_eff. Within the flat LambdaCDM scenario, the allowed range is Delta N_eff < 6 (95% CL) using WMAP data only, or -2.6 < Delta N_eff < 4 with the prior H_0= 72 \\pm 8 km/s/Mpc. When other cosmic microwave background and large scale structure experiments are taken into account, the window shrinks to -1.5 < Delta N_eff < 4.2. These results are in perfect agreement with the bounds from primordial nucleosynthesis. Non-minimal cosmological models with extra relativistic degrees of freedom are now severely restricted.

Plasma relativistic microwave electronics

International Nuclear Information System (INIS)

Kuzelev, M.V.; Loza, O.T.; Rukhadze, A.A.; Strelkov, P.S.; Shkvarunets, A.G.

2001-01-01

One formulated the principles of plasma relativistic microwave electronics based on the induced Cherenkov radiation of electromagnetic waves at interaction of a relativistic electron beam with plasma. One developed the theory of plasma relativistic generators and accelerators of microwave radiation, designed and studied the prototypes of such devices. One studied theoretically the mechanisms of radiation, calculated the efficiencies and the frequency spectra of plasma relativistic microwave generators and accelerators. The theory findings are proved by the experiment: intensity of the designed sources of microwave radiation is equal to 500 μW, the frequency of microwave radiation is increased by 7 times (from 4 up to 28 GHz), the width of radiation frequency band may vary from several up to 100%. The designed sources of microwave radiation are no else compared in the electronics [ru

Relativistic particle in a box

OpenAIRE

Alberto, P.; Fiolhais, Carlos; Gil, Victor

1996-01-01

The problem of a relativistic spin 1/2 particle confined to a one-dimensional box is solved in a way that resembles closely the solution of the well known quantum-mechanical textbook problem of a non-relativistic particle in a box. The energy levels and probability density are computed and compared with the non-relativistic case

Relativistic hydrodynamics

CERN Document Server

Luciano, Rezzolla

2013-01-01

Relativistic hydrodynamics is a very successful theoretical framework to describe the dynamics of matter from scales as small as those of colliding elementary particles, up to the largest scales in the universe. This book provides an up-to-date, lively, and approachable introduction to the mathematical formalism, numerical techniques, and applications of relativistic hydrodynamics. The topic is typically covered either by very formal or by very phenomenological books, but is instead presented here in a form that will be appreciated both by students and researchers in the field. The topics covered in the book are the results of work carried out over the last 40 years, which can be found in rather technical research articles with dissimilar notations and styles. The book is not just a collection of scattered information, but a well-organized description of relativistic hydrodynamics, from the basic principles of statistical kinetic theory, down to the technical aspects of numerical methods devised for the solut...

Study of quantum spin correlations of relativistic electron pairs - Testing nonlocality of relativistic quantum mechanics

International Nuclear Information System (INIS)

Bodek, K.; Rozpędzik, D.; Zejma, J.; Caban, P.; Rembieliński, J.; Włodarczyk, M.; Ciborowski, J.; Enders, J.; Köhler, A.; Kozela, A.

2013-01-01

The Polish-German project QUEST aims at studying relativistic quantum spin correlations of the Einstein-Rosen-Podolsky-Bohm type, through measurement of the correlation function and the corresponding probabilities for relativistic electron pairs. The results will be compared to theoretical predictions obtained by us within the framework of relativistic quantum mechanics, based on assumptions regarding the form of the relativistic spin operator. Agreement or divergence will be interpreted in the context of non-uniqueness of the relativistic spin operator in quantum mechanics as well as dependence of the correlation function on the choice of observables representing the spin. Pairs of correlated electrons will originate from the Mo/ller scattering of polarized 15 MeV electrons provided by the superconducting Darmstadt electron linear accelerator S-DALINAC, TU Darmstadt, incident on a Be target. Spin projections will be determined using the Mott polarimetry technique. Measurements (starting 2013) are planned for longitudinal and transverse beam polarizations and different orientations of the beam polarization vector w.r.t. the Mo/ller scattering plane. This is the first project to study relativistic spin correlations for particles with mass

Fine structures of atomic excited states: precision atomic spectroscopy and electron-ion collision process

International Nuclear Information System (INIS)

Gao Xiang; Cheng Cheng; Li Jiaming

2011-01-01

Scientific research fields for future energies such as inertial confinement fusion researches and astrophysics studies especially with satellite observatories advance into stages of precision physics. The relevant atomic data are not only enormous but also of accuracy according to requirements, especially for both energy levels and the collision data. The fine structure of high excited states of atoms and ions can be measured by precision spectroscopy. Such precision measurements can provide not only knowledge about detailed dynamics of electron-ion interactions but also a bench mark examination of the accuracy of electron-ion collision data, especially incorporating theoretical computations. We illustrate that by using theoretical calculation methods which can treat the bound states and the adjacent continua on equal footing. The precision spectroscopic measurements of excited fine structures can be served as stringent tests of electron-ion collision data. (authors)

Structure and applications of point form relativistic quantum mechanics

International Nuclear Information System (INIS)

Klink, W.H.

2003-01-01

The framework of point form relativistic quantum mechanics is used to construct mass and current operators for hadronic systems with finite degree of freedom. For the point form all of the interactions are in the four-momentum operator and, since Lorentz transformations are kinematic, the theory is manifestly covariant. In the Bakamjian-Thomas version of the point form the four-momentum operator is written as a product of the four-velocity operator and mass operator, where the mass operator is the sum of free and interacting mass operators. Interacting mass operators can be constructed from vertices, matrix elements of local field operators evaluated at the space-time point zero, where the states are eigenstates of the four-velocity. Applications include the study of the spectra and widths of vector mesons, viewed as bound states of quark-antiquark pairs. Besides mass operators, current operators are needed to compute form factors. Form factors are matrix elements of current operators on mass operator eigenstates and are often calculated with one-body current operators (in the point form this is called the point form spectator approximation); but in a properly relativistic theory there must also be many-body current operators. Minimal currents needed to satisfy current conservation in the presence of hadronic interactions (called dynamically determined currents) are shown to be easily calculated in the point form. (author)

Distortion of Local Atomic Structures in Amorphous Ge-Sb-Te Phase Change Materials

Science.gov (United States)

Hirata, A.; Ichitsubo, T.; Guan, P. F.; Fujita, T.; Chen, M. W.

2018-05-01

The local atomic structures of amorphous Ge-Sb-Te phase-change materials have yet to be clarified and the rapid crystal-amorphous phase change resulting in distinct optical contrast is not well understood. We report the direct observation of local atomic structures in amorphous Ge2Sb2Te5 using "local" reverse Monte Carlo modeling dedicated to an angstrom-beam electron diffraction analysis. The results corroborated the existence of local structures with rocksalt crystal-like topology that were greatly distorted compared to the crystal symmetry. This distortion resulted in the breaking of ideal octahedral atomic environments, thereby forming local disordered structures that basically satisfied the overall amorphous structure factor. The crystal-like distorted octahedral structures could be the main building blocks in the formation of the overall amorphous structure of Ge-Sb-Te.

Atomic spectral-product representations of molecular electronic structure: metric matrices and atomic-product composition of molecular eigenfunctions.

Science.gov (United States)

Ben-Nun, M; Mills, J D; Hinde, R J; Winstead, C L; Boatz, J A; Gallup, G A; Langhoff, P W

2009-07-02

Recent progress is reported in development of ab initio computational methods for the electronic structures of molecules employing the many-electron eigenstates of constituent atoms in spectral-product forms. The approach provides a universal atomic-product description of the electronic structure of matter as an alternative to more commonly employed valence-bond- or molecular-orbital-based representations. The Hamiltonian matrix in this representation is seen to comprise a sum over atomic energies and a pairwise sum over Coulombic interaction terms that depend only on the separations of the individual atomic pairs. Overall electron antisymmetry can be enforced by unitary transformation when appropriate, rather than as a possibly encumbering or unnecessary global constraint. The matrix representative of the antisymmetrizer in the spectral-product basis, which is equivalent to the metric matrix of the corresponding explicitly antisymmetric basis, provides the required transformation to antisymmetric or linearly independent states after Hamiltonian evaluation. Particular attention is focused in the present report on properties of the metric matrix and on the atomic-product compositions of molecular eigenstates as described in the spectral-product representations. Illustrative calculations are reported for simple but prototypically important diatomic (H(2), CH) and triatomic (H(3), CH(2)) molecules employing algorithms and computer codes devised recently for this purpose. This particular implementation of the approach combines Slater-orbital-based one- and two-electron integral evaluations, valence-bond constructions of standard tableau functions and matrices, and transformations to atomic eigenstate-product representations. The calculated metric matrices and corresponding potential energy surfaces obtained in this way elucidate a number of aspects of the spectral-product development, including the nature of closure in the representation, the general redundancy or

Some fundamental properties of the ground state of atoms and molecules

International Nuclear Information System (INIS)

Lieb, E.H.

1986-01-01

This paper studies the ground states of atoms and molecules in quantum mechanics and reports on some mathematically rigourous results pertaining to the matter. The non-relativistic Hamiltonian for a molecule in the static nucleus approximation is presented along with notations

Atomic-level structure and structure-property relationship in metallic glass

Science.gov (United States)

Cheng, Yongqiang

One of the key tasks in material science is to understand the structure and structure-property relationship. The recently emerging bulk metallic glasses (BMGs) have demonstrated unique properties, especially intriguing mechanical properties such as their high strength and high propensity to localize deformation in shear bands. However, a comprehensive understanding of the structure of BMGs has been hindered by the complexity of these amorphous materials. Even more challenging is the structure-property correlation, which has been well established in crystals but has been seriously lacking for BMGs. This thesis presents a systematic study of the atomic-level structures of two representative BMGs, Cu-Zr and Cu-Zr-Al. The interpenetrating Cu-centered icosahedral clusters have been identified to be the primary structural feature. The fraction of icosahedra increases with increasing Cu or Al contents, and with decreasing cooling rate. The effect of Al in improving the icosahedral order is two-fold: the geometric effect due to the atomic-size mismatch and the chemical effect originated from the Cu-Al bond shortening. The resolved structure is used to study the structure-property relationship. The full icosahedra are found to be responsible for the dynamical slowdown of the supercooled liquid, which underlies the non-Arrhenius behavior, and explains the composition dependence of glass transition temperature, glass forming ability, and the room temperature strength. By simulated deformation, the initiation of plasticity and tendency for strain localization are also investigated. The full icosahedra are found to be the most rigid and resistant cluster with solid-like character, while the unstable clusters with liquid-like character serve as the fertile sites for initiating shear transformations. In addition, the elastic moduli are calculated and analyzed, and the origins of the different configurational dependence of shear modulus (G) and bulk modulus ( B) are explained. The

Decoherence and discrete symmetries in deformed relativistic kinematics

Science.gov (United States)

Arzano, Michele

2018-01-01

Models of deformed Poincaré symmetries based on group valued momenta have long been studied as effective modifications of relativistic kinematics possibly capturing quantum gravity effects. In this contribution we show how they naturally lead to a generalized quantum time evolution of the type proposed to model fundamental decoherence for quantum systems in the presence of an evaporating black hole. The same structures which determine such generalized evolution also lead to a modification of the action of discrete symmetries and of the CPT operator. These features can in principle be used to put phenomenological constraints on models of deformed relativistic symmetries using precision measurements of neutral kaons.

Relativistic viscoelastic fluid mechanics

International Nuclear Information System (INIS)

Fukuma, Masafumi; Sakatani, Yuho

2011-01-01

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.

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.

Atomic structure of non-stoichiometric transition metal carbides

International Nuclear Information System (INIS)

Moisy-Maurice, Virginie.

1981-10-01

Different kinds of experimental studies of the atomic arrangement in non-stoichiometric transition metal carbides are proposed: the ordering of carbon vacancies and the atomic static displacements are the main subjects studied. Powder neutron diffraction on TiCsub(1-x) allowed us to determine the order-disorder transition critical temperature -Tsub(c) approximately 770 0 C- in the TiCsub(0.52-0.67) range, and to analyze at 300 K the crystal structure of long-range ordered samples. A neutron diffuse scattering quantitative study at 300 K of short-range order in TiCsub(0.76), TiCsub(0.79) and NbCsub(0.73) single crystals is presented: as in Ti 2 Csub(1+x) and Nb 6 C 5 superstructures, vacancies avoid to be on each side of a metal atom. Besides, the mean-square carbon atom displacements from their sites are small, whereas metal atoms move radially about 0.03 A away from vacancies. These results are in qualitative agreement with EXAFS measurements at titanium-K edge of TiCsub(1-x). An interpretation of ordering in term of short-range interaction pair potentials between vacancies is proposed [fr

Three-Dimensional Atomic Structure of Metastable Nanoclusters in Doped Semiconductors

Science.gov (United States)

Couillard, Martin; Radtke, Guillaume; Knights, Andrew P.; Botton, Gianluigi A.

2011-10-01

Aberration-corrected scanning transmission electron microscopy is used to determine the atomic structure of nanoclusters of cerium dopant atoms embedded in silicon. By channeling electrons along two crystallographic orientations, we identify a characteristic zinc-blende chemical ordering within CeSi clusters coherent with the silicon host matrix. Strain energy limits the size of these ordered arrangements to just above 1 nm. With the local order identified, we then determine the atomic configuration of an individual subnanometer cluster by quantifying the scattering intensity under weak channeling condition in terms of the number of atoms. Analysis based on single-atom visualization also evidences the presence of split-vacancy impurity complexes, which supports the hypothesis of a vacancy-assisted formation of these metastable CeSi nanophases.

Relativistic Coulomb Fission

Science.gov (United States)

Norbury, John W.

1992-01-01

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.

Relativistic Shock Acceleration

International Nuclear Information System (INIS)

Duffy, P.; Downes, T.P.; Gallant, Y.A.; Kirk, J.G.

1999-01-01

In this paper we briefly review the basic theory of shock waves in relativistic hydrodynamics and magneto-hydrodynamics, emphasising some astrophysically interesting cases. We then present an overview of the theory of particle acceleration at such shocks describing the methods used to calculate the spectral indices of energetic particles. Recent results on acceleration at ultra-relativistic shocks are discussed. (author)

Structural analysis of γ radiation-induced chromosomal aberrations observed by atomic force microscopy

International Nuclear Information System (INIS)

Qu Shuang; Chen Ying; Ge Shili; Liu Xiulin; Zhou Pingkun; Zhang Sa; Zhang Detian

2003-01-01

Objective: To find a new method for the measurement of radiation-induced damage, the structures of normal chromosomes and 60 Co γ-ray-induced chromosomal aberration were analyzed by atomic force microscopy. Methods: Normal and irradiated chromosomes of human peripheral blood lymphocytes were prepared, then three-dimensional structure and height of chromosomes were analyzed by atomic force microscopy. Results: Three-dimensional structures of normal chromosomes and dicentric aberration in irradiated chromosomes were observed clearly. The data of chromosome height were helpful to recognizing the dicentric aberrations. Conclusion: Atomic force microscopy providing three-dimension image and linear measurement is a new and valuable tool for structural analysis of radiation-induced chromosomal aberrations

Extraction complexes of Pu(IV) with carbamoylmethylphosphine oxide ligands. A relativistic density functional study

International Nuclear Information System (INIS)

Wang, Cong-Zhi; Lan, Jian-Hui; Feng, Yi-Xiao; Zhao, Yu-Liang; Chai, Zhi-Fang; Shi, Wei-Qun; Wei, Yue-Zhou

2014-01-01

The extraction complexes of Pu(IV) with n-octyl(phenyl)-N,N-diisobutyl-methylcarbamoyl phosphine oxide (CMPO) and diphenyl-N,N-diisobutyl carbamoyl phosphine oxide (Ph 2 CMPO) have been studied by using density functional theory (DFT) combined with relativistic small-core pseudopotentials. For most complexes, the CMPO and Ph 2 CMPO molecules are coordinated as bidentate chelating ligands through the carbonyl oxygen and phosphoric oxygen atoms. The metal-ligand bonding is mainly ionic for all of these complexes. The neutral PuL(NO 3 ) 4 and PuL 2 (NO 3 ) 4 complexes are predicted to be the most thermodynamically stable molecules according to the metal-ligand complexation reactions. In addition, hydration energies may also play a significant role in the extractability of CMPO and Ph 2 CMPO for the plutonium cations. In most cases, the complexes with CMPO possess qualitatively similar geometries and electron structures to those with Ph 2 CMPO, and they also have comparable metal-ligand binding energies. Thus, replacement of alkyl groups by phenyl groups at the phosphorus atom of CMPO seems to have no obvious influence on the extraction of Pu(IV). (orig.)

Anisotropy of relativistic lepton coherent scattering at axial channeling

International Nuclear Information System (INIS)

Telegin, V.I.; Kanloev, A.M.; Kungurov, F.R.

1989-01-01

The contribution of the coherent and incoherent scattering of relativistic leptons passed through thin crystals in the channeling mode to their angular distribution is considered. The investigation was carried out by numerical integration of the motion equations for a great number of particles. It is shown that in the crystals with a thickness smaller than the dechanneling length the determining role in formation of distribution over the axit angles is played by the coherent scattering of particles by atomic chains. The effect of the multiple scattering on the angular distribution is negligibly small. 6 refs.; 4 figs

Atomic and electronic structure of exfoliated black phosphorus

Energy Technology Data Exchange (ETDEWEB)

Wu, Ryan J.; Topsakal, Mehmet; Jeong, Jong Seok; Wentzcovitch, Renata M.; Mkhoyan, K. Andre, E-mail: mkhoyan@umn.edu [Department of Chemical Engineering and Materials Science, University of Minnesota, Minneapolis, Minnesota 55455 (United States); Low, Tony; Robbins, Matthew C.; Haratipour, Nazila; Koester, Steven J. [Department of Electrical and Computer Engineering, University of Minnesota, Minneapolis, Minnesota 55455 (United States)

2015-11-15

Black phosphorus, a layered two-dimensional crystal with tunable electronic properties and high hole mobility, is quickly emerging as a promising candidate for future electronic and photonic devices. Although theoretical studies using ab initio calculations have tried to predict its atomic and electronic structure, uncertainty in its fundamental properties due to a lack of clear experimental evidence continues to stymie our full understanding and application of this novel material. In this work, aberration-corrected scanning transmission electron microscopy and ab initio calculations are used to study the crystal structure of few-layer black phosphorus. Directly interpretable annular dark-field images provide a three-dimensional atomic-resolution view of this layered material in which its stacking order and all three lattice parameters can be unambiguously identified. In addition, electron energy-loss spectroscopy (EELS) is used to measure the conduction band density of states of black phosphorus, which agrees well with the results of density functional theory calculations performed for the experimentally determined crystal. Furthermore, experimental EELS measurements of interband transitions and surface plasmon excitations are also consistent with simulated results. Finally, the effects of oxidation on both the atomic and electronic structure of black phosphorus are analyzed to explain observed device degradation. The transformation of black phosphorus into amorphous PO{sub 3} or H{sub 3}PO{sub 3} during oxidation may ultimately be responsible for the degradation of devices exposed to atmosphere over time.

The method of intersecting spheres for determination of coordination numbers of atoms in crystal structures

International Nuclear Information System (INIS)

Serezhkin, V.N.; Buslaev, Yu.A.; Mikhajlov, Yu.N.

1997-01-01

New method for determination of coordination numbers (CN) of atoms in crystal structures, based on the model of interatomic interaction, within the frames whereof each atom is approximated by two spheres with the common center in the atom nuclei, is proposed. One of the spheres specifies conditionally isolated (chemically unbound) atom and its radius is a constant, which for atoms of the given chemical sort in the structure of any compound is equal to quasi-orbital Sleiter radius. The sphere of the other radius specifies chemically bound atom and coincides with the sphere, the volume whereof is equal to the volume of the Voronoj-Dirichlet polyhedron of the corresponding atom in the structure of the concrete crystal. Using a series of examples, workability of the given method for CN determination of atoms in structures of both simple substances and chemical compounds (alkali, transition metals, U, Th). Good agreement of the obtained results with the generally accepted CN s of atoms for the considered crystals is noted and a number of principal advantages of the new method, as compared to classical one of the CNs evaluation, is demonstrated

Relativistic impulse dynamics.

Science.gov (United States)

Swanson, Stanley M

2011-08-01

Classical electrodynamics has some annoying rough edges. The self-energy of charges is infinite without a cutoff. The calculation of relativistic trajectories is difficult because of retardation and an average radiation reaction term. By reconceptuallizing electrodynamics in terms of exchanges of impulses rather than describing it by forces and potentials, we eliminate these problems. A fully relativistic theory using photonlike null impulses is developed. Numerical calculations for a two-body, one-impulse-in-transit model are discussed. A simple relationship between center-of-mass scattering angle and angular momentum was found. It reproduces the Rutherford cross section at low velocities and agrees with the leading term of relativistic distinguishable-particle quantum cross sections (Møller, Mott) when the distance of closest approach is larger than the Compton wavelength of the particle. Magnetism emerges as a consequence of viewing retarded and advanced interactions from the vantage point of an instantaneous radius vector. Radiation reaction becomes the local conservation of energy-momentum between the radiating particle and the emitted impulse. A net action is defined that could be used in developing quantum dynamics without potentials. A reinterpretation of Newton's laws extends them to relativistic motion.

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

Consistent resolution of some relativistic quantum paradoxes

International Nuclear Information System (INIS)

Griffiths, Robert B.

2002-01-01

A relativistic version of the (consistent or decoherent) histories approach to quantum theory is developed on the basis of earlier work by Hartle, and used to discuss relativistic forms of the paradoxes of spherical wave packet collapse, Bohm's formulation of the Einstein-Podolsky-Rosen paradox, and Hardy's paradox. It is argued that wave function collapse is not needed for introducing probabilities into relativistic quantum mechanics, and in any case should never be thought of as a physical process. Alternative approaches to stochastic time dependence can be used to construct a physical picture of the measurement process that is less misleading than collapse models. In particular, one can employ a coarse-grained but fully quantum-mechanical description in which particles move along trajectories, with behavior under Lorentz transformations the same as in classical relativistic physics, and detectors are triggered by particles reaching them along such trajectories. States entangled between spacelike separate regions are also legitimate quantum descriptions, and can be consistently handled by the formalism presented here. The paradoxes in question arise because of using modes of reasoning which, while correct for classical physics, are inconsistent with the mathematical structure of quantum theory, and are resolved (or tamed) by using a proper quantum analysis. In particular, there is no need to invoke, nor any evidence for, mysterious long-range superluminal influences, and thus no incompatibility, at least from this source, between relativity theory and quantum mechanics

Internal structure of reactor building for Madras Atomic Power Project

International Nuclear Information System (INIS)

Pandit, D.P.

1975-01-01

The structural configuration and analysis of structural elements of the internal structure of reactor building for the Madras Atomic Power Project has been presented. Two methods of analysis of the internal structure, viz. Equivalent Plane Frame and Finite Element Method, are explained and compared with the use of bending moments obtained. (author)

The electromagnetic virtual cloud of the ground-state hydrogen atom - a quantum field theory approach

International Nuclear Information System (INIS)

Radozycki, T.

1990-01-01

The properties of the virtual cloud around the hydrogen atom in the ground state are studied with the use of quantum field theory methods. The relativistic expression for the electromagnetic energy density around the atom, with the electron spin taken into account, is obtained. The distribution of the angular momentum contained in the cloud and the self-interaction kernel for the electrons bound in atom are also investigated. (author)

REACHING ULTRA HIGH PEAK CHARACTERISTICS IN RELATIVISTIC THOMSON BACKSCATTERING

International Nuclear Information System (INIS)

POGORELSKY, I.V.; BEN ZVI, I.; HIROSE, T.; KASHIWAGI, S.; YAKIMENKO, V.; KUSCHE, K.; SIDDONS, P.; ET AL

2001-01-01

The concept of x-ray laser synchrotron sources (LSS) based on Thomson scattering between laser photons and relativistic electrons leads to future femtosecond light-source facilities fit to multidisciplinary research in ultra-fast structural dynamics. Enticed by these prospects, the Brookhaven Accelerator Test Facility (ATF) embarked into development of the LSS based on a combination of a photocathode RF linac and a picosecond CO 2 laser. We observed the record 1.7 x 10 8 x-ray photons/pulse yield generated via relativistic Thomson scattering between the 14 GW CO 2 laser and 60 MeV electron beam

Pair production with electron capture in peripheral collisions of relativistic heavy ions

Energy Technology Data Exchange (ETDEWEB)

Bertulani, C.A.C.A. E-mail: bertu@if.ufrj.br; Dolci, D.D. E-mail: dolci@if.ufrj.br

2001-02-26

The production of electron-positron pairs with the capture of the electron in an atomic orbital is investigated for the conditions of the Relativistic Heavy Ion Collider (RHIC) and the Large Hadron Collider (LHC). Dirac wave functions for the leptons are used, taking corrections to orders of Z{alpha} into account. The dependence on the transverse momentum transfer is studied and the accuracy of the equivalent photon approximation is discussed as a function of the nuclear charge.

Structural atlas of dynein motors at atomic resolution.

Science.gov (United States)

Toda, Akiyuki; Tanaka, Hideaki; Kurisu, Genji

2018-04-01

Dynein motors are biologically important bio-nanomachines, and many atomic resolution structures of cytoplasmic dynein components from different organisms have been analyzed by X-ray crystallography, cryo-EM, and NMR spectroscopy. This review provides a historical perspective of structural studies of cytoplasmic and axonemal dynein including accessory proteins. We describe representative structural studies of every component of dynein and summarize them as a structural atlas that classifies the cytoplasmic and axonemal dyneins. Based on our review of all dynein structures in the Protein Data Bank, we raise two important points for understanding the two types of dynein motor and discuss the potential prospects of future structural studies.

A combined photoelectron spectroscopy and relativistic ab initio studies of the electronic structures of UFO and UFO-

Science.gov (United States)

Roy, Soumendra K.; Jian, Tian; Lopez, Gary V.; Li, Wei-Li; Su, Jing; Bross, David H.; Peterson, Kirk A.; Wang, Lai-Sheng; Li, Jun

2016-02-01

The observation of the gaseous UFO- anion is reported, which is investigated using photoelectron spectroscopy and relativisitic ab initio calculations. Two strong photoelectron bands are observed at low binding energies due to electron detachment from the U-7sσ orbital. Numerous weak detachment bands are also observed due to the strongly correlated U-5f electrons. The electron affinity of UFO is measured to be 1.27(3) eV. High-level relativistic quantum chemical calculations have been carried out on the ground state and many low-lying excited states of UFO to help interpret the photoelectron spectra and understand the electronic structure of UFO. The ground state of UFO- is linear with an O-U-F structure and a 3H4 spectral term derived from a U 7sσ25fφ15fδ1 electron configuration, whereas the ground state of neutral UFO has a 4H7/2 spectral term with a U 7sσ15fφ15fδ1 electron configuration. Strong electron correlation effects are found in both the anionic and neutral electronic configurations. In the UFO neutral, a high density of electronic states with strong configuration mixing is observed in most of the scalar relativistic and spin-orbit coupled states. The strong electron correlation, state mixing, and spin-orbit coupling of the electronic states make the excited states of UFO very challenging for accurate quantum chemical calculations.

A combined photoelectron spectroscopy and relativistic ab initio studies of the electronic structures of UFO and UFO(-).

Science.gov (United States)

Roy, Soumendra K; Jian, Tian; Lopez, Gary V; Li, Wei-Li; Su, Jing; Bross, David H; Peterson, Kirk A; Wang, Lai-Sheng; Li, Jun

2016-02-28

The observation of the gaseous UFO(-) anion is reported, which is investigated using photoelectron spectroscopy and relativisitic ab initio calculations. Two strong photoelectron bands are observed at low binding energies due to electron detachment from the U-7sσ orbital. Numerous weak detachment bands are also observed due to the strongly correlated U-5f electrons. The electron affinity of UFO is measured to be 1.27(3) eV. High-level relativistic quantum chemical calculations have been carried out on the ground state and many low-lying excited states of UFO to help interpret the photoelectron spectra and understand the electronic structure of UFO. The ground state of UFO(-) is linear with an O-U-F structure and a (3)H4 spectral term derived from a U 7sσ(2)5fφ(1)5fδ(1) electron configuration, whereas the ground state of neutral UFO has a (4)H(7/2) spectral term with a U 7sσ(1)5fφ(1)5fδ(1) electron configuration. Strong electron correlation effects are found in both the anionic and neutral electronic configurations. In the UFO neutral, a high density of electronic states with strong configuration mixing is observed in most of the scalar relativistic and spin-orbit coupled states. The strong electron correlation, state mixing, and spin-orbit coupling of the electronic states make the excited states of UFO very challenging for accurate quantum chemical calculations.

Relativistic theory of stopping for heavy ions

International Nuclear Information System (INIS)

Lindhard, J.; So/rensen, A.H.

1996-01-01

We calculate the electronic stopping power and the corresponding straggling for ions of arbitrary charge number, penetrating matter at any relativistic energy. The stopping powers are calculated by a simple method. Its starting point is the deviation of the precise theory from first-order quantum perturbation. We show that this deviation can be expressed in terms of the transport cross section, σ tr , for scattering of a free electron by the ion. In the nonrelativistic case the deviation is precisely the Bloch correction to Bethe close-quote s formula; we look into the nonrelativistic case in order to clarify both some features of our method and a seeming paradox in Rutherford scattering. The corresponding relativistic correction is obtained from σ tr for scattering of a Dirac electron in the ion potential. Here, the major practical advantage of the method shows up; we need not find the scattering distribution, but merely a single quantity, σ tr , determined by differences of successive phase shifts. For a point nucleus our results improve and extend those of Ahlen. Our final results, however, are based on atomic nuclei with standard radii. Thereby, the stopping is changed substantially already for moderate values of γ=(1-v 2 /c 2 ) -1/2 . An asymptotic saturation in stopping is obtained. Because of finite nuclear size, recoil corrections remain negligible at all energies. The average square fluctuation in energy loss is calculated as a simple fluctuation cross section for a free electron. The fluctuation in the relativistic case is generally larger than that of the perturbation formula, by a factor of ∼2 endash 3 for heavy ions. But the finite nuclear radius leads to a strong reduction at high energies and the elimination of the factor γ 2 belonging to point nuclei. copyright 1996 The American Physical Society

Adhesion and Atomic Structures of Gold on Ceria Nanostructures:The Role of Surface Structure and Oxidation State of Ceria Supports

Energy Technology Data Exchange (ETDEWEB)

Lin, Yuyuan [Northwestern University, Evanston; Wu, Zili [ORNL; Wen, Jianguo [Argonne National Laboratory (ANL); Poeppelmeier, Kenneth R [Northwestern University, Evanston; Marks, Laurence D [Northwestern University, Evanston

2015-01-01

Recent advances in heterogeneous catalysis have demonstrated that oxides supports with the same material but different shapes can result in metal catalysts with distinct catalytic properties. The shape-dependent catalysis was not well-understood owing to the lack of direct visualization of the atomic structures at metal-oxide interface. Herein, we utilized aberration-corrected electron microscopy and revealed the atomic structures of gold particles deposited on ceria nanocubes and nanorods with {100} or {111} facets exposed. For the ceria nanocube support, gold nanoparticles have extended atom layers at the metal-support interface. In contrast, regular gold nanoparticles and rafts are present on the ceria nanorod support. After hours of water gas shift reaction, the extended gold atom layers and rafts vanish, which is associated with the decrease of the catalytic activities. By understanding the atomic structures of the support surfaces, metal-support interfaces, and morphologies of the gold particles, a direct structure-property relationship is established.

Theoretical studies of intermediate-energy nuclear physics: Annual technical progress report, April 1, 1988--March 31, 1989

International Nuclear Information System (INIS)

Horowitz, C.J.; Macfarlane, M.H.; Serot, B.D.

1989-01-01

In this period covered by this report (April 1, 1988 to March 31, 1989), work focused on six main areas: Relativistic Theories of Nuclear Structure and Saturation; Relativistic Descriptions of Proton- Nucleus and Electron-Nucleus Scattering; Nonrelativistic Theory of Nucleon-Nucleus Reactions; Gamow-Teller Excitations in Nuclear Charge- Exchange Reactions; Relativistic Many-Body Theory at Finite Temperature and Density and Relativistic Atomic Physics of High Z Atoms. Results and publications in these areas are summarized in this report

An Atomic Data and Analysis Structure

International Nuclear Information System (INIS)

Summers, Hugh P.

2000-01-01

The Atomic Data and Analysis Structure (ADAS) Project is a shared activity of a world-wide consortium of fusion and astrophysical laboratories directed at developing and maintaining a common approach to analysing and modelling the radiating properties of plasmas. The origin and objectives of ADAS and the organization of its codes and data collections outlined. Current special projects in the ADAS Project work-plans are listed and an illustration given of ADAS at work. (author)

Structural reliability of atomic power plant

International Nuclear Information System (INIS)

Klemin, A.I.; Polyakov, E.F.

1980-01-01

In 1978 the first specialized technical manual ''Technique of Calculating the Structural Reliability of an Atomic Power Plant and Its Systems in the Design Stage'' was developed. The present article contains information about the main characteristics and capabilities of the manual. The manual gives recommendations concerning the calculations of the reliability of such specific systems as the reactor control and safety system, the system of instrumentation and automatic control, and safety systems. 2 refs

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.

Polarizabilities of Ba and Ba2: Comparison of molecular beam experiments with relativistic quantum chemistry

International Nuclear Information System (INIS)

Schaefer, Sascha; Mehring, Max; Schaefer, Rolf; Schwerdtfeger, Peter

2007-01-01

The dielectric response to an inhomogeneous electric field has been investigated for Ba and Ba 2 within a molecular beam experiment. The ratio of the polarizabilities per atom of Ba 2 and Ba is determined to be 1.30±0.13. The experimental result is compared to a high level ab initio quantum chemical coupled cluster calculation with an energy-consistent scalar relativistic small-core pseudopotential for Ba. For the barium atom a polarizability of 40.82 A 3 is obtained and the isotropic value of the polarizability calculated for Ba 2 is 97.88 A 3 , which is in good agreement with the experimental results, demonstrating that a quantitative understanding of the interaction between two closed-shell heavy element metal atoms has been achieved

Max Auwaerter Price lecture: building and probing atomic structures

International Nuclear Information System (INIS)

Ternes, M.

2008-01-01

Full text: The control of the geometric, electronic, and magnetic properties of atomic-scale nanostructures is a prerequisite for the understanding and fabrication of new materials and devices. Two routes lead towards this goal: Atomic manipulation of single atoms and molecules by scanning probe microscopy, or patterning using self-assembly. Atomic manipulation has been performed since almost 20 years, but it has been difficult to answer the simple question: how much force does it take to manipulate atoms and molecules on surfaces? To address this question, we used a combined atomic force and scanning tunneling microscope to simultaneously measure the force and the current between an adsorbate and a tip during atomic manipulation. We found that the force it takes to move an atom depends crucially on the binding between adsorbate and surface. Our results indicate that for moving metal atoms on metal surfaces, the lateral force component plays the dominant role. Measuring the forces during manipulation yielded the full potential energy landscape of the tip-sample interaction. Surprisingly, the potential energy barriers are comparable to diffusion barriers, which are obtained in the absence of a probe tip. Furthermore, we used the scanning tunneling microscope to assemble magnetic structures on a thin insulator. We found, that the spin of the atom is influenced by the magnetocrystalline anisotropy of the supporting surface which lifts the spin degeneracy of the ground state and enables the identification of individual atoms. The ground state of atoms with half-integer spin remains always degenerated at zero field due to Kramers theorem. We found that if these states differ by an orbital momentum of m = ±1 the localized spin is screened by the surrounding conducting electrons of the non-magnetic host and form a many-electron spin-singlet at sufficiently low temperature. (author)

Geometric stability and electronic structure of infinite and finite phosphorus atomic chains

International Nuclear Information System (INIS)

Qiao Jingsi; Zhou Linwei; Ji Wei

2017-01-01

One-dimensional mono- or few-atomic chains were successfully fabricated in a variety of two-dimensional materials, like graphene, BN, and transition metal dichalcogenides, which exhibit striking transport and mechanical properties. However, atomic chains of black phosphorus (BP), an emerging electronic and optoelectronic material, is yet to be investigated. Here, we comprehensively considered the geometry stability of six categories of infinite BP atomic chains, transitions among them, and their electronic structures. These categories include mono- and dual-atomic linear, armchair, and zigzag chains. Each zigzag chain was found to be the most stable in each category with the same chain width. The mono-atomic zigzag chain was predicted as a Dirac semi-metal. In addition, we proposed prototype structures of suspended and supported finite atomic chains. It was found that the zigzag chain is, again, the most stable form and could be transferred from mono-atomic armchair chains. An orientation dependence was revealed for supported armchair chains that they prefer an angle of roughly 35 ° –37 ° perpendicular to the BP edge, corresponding to the [110] direction of the substrate BP sheet. These results may promote successive research on mono- or few-atomic chains of BP and other two-dimensional materials for unveiling their unexplored physical properties. (special topic)

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.

Bonding and magnetic response properties of several toroid structures. Insights of the role of Ni2S2 as a building block from relativistic density functional theory calculations.

Science.gov (United States)

Muñoz-Castro, Alvaro

2011-10-06

Relativistic density functional calculations were carried out on several nickel toroid mercaptides of the general formula [Ni(μ-SR)(2)](n), with the aim to characterize and analyze their stability and magnetic response properties, in order to gain more insights into their stabilization and size-dependent behavior. The Ni-ligand interaction has been studied by means projected density of states and energy decomposition analysis, which denotes its stabilizing character. The graphical representation of the response to an external magnetic field is applied for the very first time taking into account the spin-orbit term. This map allows one to clearly characterize the magnetic behavior inside and in the closeness of the toroid structure showing the prescence of paratropic ring currents inside the Ni(n) ring, and by contrast, diatropic currents confined in each Ni(2)S(2) motif denoting an aromatic behavior (in terms of magnetic criteria). The calculated data suggests that the Ni(2)S(2) moiety can be regarded as a stable constructing block, which can afford several toroid structures of different nuclearities in agreement with that reported in the experimental literature. In addition, the effects of the relativistic treatment over the magnetic response properties on these lighter compounds are denoted by comparing nonrelativistic, scalar relativistic, and scalar plus spin-orbit relativistic treatments, showing their acting, although nonpronunced, role.

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

Relativistic Outflows from ADAFs

Science.gov (United States)

Becker, Peter; Subramanian, Prasad; Kazanas, Demosthenes

2001-04-01

Advection-dominated accretion flows (ADAFs) have a positive Bernoulli parameter, and are therefore gravitationally bound. The Newtonian ADAF model has been generalized recently to obtain the ADIOS model that includes outflows of energy and angular momentum, thereby allowing accretion to proceed self-consistently. However, the utilization of a Newtonian gravitational potential limits the ability of this model to describe the inner region of the disk, where any relativistic outflows are likely to originate. In this paper we modify the ADIOS scenario to incorporate a seudo - Newtonian potential, which approximates the effects of general relativity. The analysis yields a unique, self - similar solution for the structure of the coupled disk/wind system. Interesting features of the new solution include the relativistic character of the outflow in the vicinity of the radius of marginal stability, which represents the inner edge of the quasi-Keplerian disk in our model. Our self - similar model may therefore help to explain the origin of relativistic jets in active galaxies. At large distances the radial dependence of the accretion rate approachs the unique form dot M ∝ r^1/2, with an associated density variation given by ρ ∝ r-1. This density variation agrees with that implied by the dependence of the X-ray hard time lags on the Fourier frequency for a number of accreting galactic black hole candidates. While intriguing, the results of our self-similar model need to be confirmed in the future by incorporating a detailed physical description of the energization mechanism that drives the outflow, which is likely to be powered by the shear of the underlying accretion disk.

An investigation of relativistic microscopic optical potential in terms of relativistic Brueckner-Bethe-Goldstone equation

International Nuclear Information System (INIS)

Chen Baoqiu; Ma Zhongyu

1992-01-01

Relativistic microscopic optical potential of nucleon-nucleus is derived from the relativistic Brueckner-Bethe-Goldstone (RBBG) equation. The complex effective mass of a nucleon is determined by a fit to 200 MeV p- 40 Ca scattering data. The relativistic microscopic optical potentials with this effective mass are obtained from RBBG for p- 16O , 40 Ca, 90 Zr and 208 Pb scattering in energy range from 160 to 800 MeV. The microscopic optical potential is used to study the proton- 40 Ca scattering problem at 200 MeV. The results, such as differential cross section, analyzing power and spin rotation function are compared with those calculated from phenomenological relativistic optical potential

RANKINE-HUGONIOT RELATIONS IN RELATIVISTIC COMBUSTION WAVES

International Nuclear Information System (INIS)

Gao Yang; Law, Chung K.

2012-01-01

As a foundational element describing relativistic reacting waves of relevance to astrophysical phenomena, the Rankine-Hugoniot relations classifying the various propagation modes of detonation and deflagration are analyzed in the relativistic regime, with the results properly degenerating to the non-relativistic and highly relativistic limits. The existence of negative-pressure downstream flows is noted for relativistic shocks, which could be of interest in the understanding of the nature of dark energy. Entropy analysis for relativistic shock waves is also performed for relativistic fluids with different equations of state (EoS), denoting the existence of rarefaction shocks in fluids with adiabatic index Γ < 1 in their EoS. The analysis further shows that weak detonations and strong deflagrations, which are rare phenomena in terrestrial environments, are expected to exist more commonly in astrophysical systems because of the various endothermic reactions present therein. Additional topics of relevance to astrophysical phenomena are also discussed.

Relativistic electron mirrors from high intensity laser nanofoil interactions

International Nuclear Information System (INIS)

Kiefer, Daniel

2012-01-01

The reflection of a laser pulse from a mirror moving close to the speed of light could in principle create an X-ray pulse with unprecedented high brightness owing to the increase in photon energy and accompanying temporal compression by a factor of 4γ 2 , where γ is the Lorentz factor of the mirror. While this scheme is theoretically intriguingly simple and was first discussed by A. Einstein more than a century ago, the generation of a relativistic structure which acts as a mirror is demanding in many different aspects. Recently, the interaction of a high intensity laser pulse with a nanometer thin foil has raised great interest as it promises the creation of a dense, attosecond short, relativistic electron bunch capable of forming a mirror structure that scatters counter-propagating light coherently and shifts its frequency to higher photon energies. However, so far, this novel concept has been discussed only in theoretical studies using highly idealized interaction parameters. This thesis investigates the generation of a relativistic electron mirror from a nanometer foil with current state-of-the-art high intensity laser pulses and demonstrates for the first time the reflection from those structures in an experiment. To achieve this result, the electron acceleration from high intensity laser nanometer foil interactions was studied in a series of experiments using three inherently different high power laser systems and free-standing foils as thin as 3nm. A drastic increase in the electron energies was observed when reducing the target thickness from the micrometer to the nanometer scale. Quasi-monoenergetic electron beams were measured for the first time from ultrathin (≤5nm) foils, reaching energies up to ∝35MeV. The acceleration process was studied in simulations well-adapted to the experiments, indicating the transition from plasma to free electron dynamics as the target thickness is reduced to the few nanometer range. The experience gained from those

Atomic structure and phason modes of the Sc–Zn icosahedral quasicrystal

Directory of Open Access Journals (Sweden)

Tsunetomo Yamada

2016-07-01

Full Text Available The detailed atomic structure of the binary icosahedral (i ScZn7.33 quasicrystal has been investigated by means of high-resolution synchrotron single-crystal X-ray diffraction and absolute scale measurements of diffuse scattering. The average atomic structure has been solved using the measured Bragg intensity data based on a six-dimensional model that is isostructural to the i-YbCd5.7 one. The structure is described with a quasiperiodic packing of large Tsai-type rhombic triacontahedron clusters and double Friauf polyhedra (DFP, both resulting from a close-packing of a large (Sc and a small (Zn atom. The difference in chemical composition between i-ScZn7.33 and i-YbCd5.7 was found to lie in the icosahedron shell and the DFP where in i-ScZn7.33 chemical disorder occurs on the large atom sites, which induces a significant distortion to the structure units. The intensity in reciprocal space displays a substantial amount of diffuse scattering with anisotropic distribution, located around the strong Bragg peaks, that can be fully interpreted as resulting from phason fluctuations, with a ratio of the phason elastic constants K2/K1 = −0.53, i.e. close to a threefold instability limit. This induces a relatively large perpendicular (or phason Debye–Waller factor, which explains the vanishing of `high-Qperp' reflections.

Generation of even harmonics in a relativistic laser plasma of atomic clusters

International Nuclear Information System (INIS)

Krainov, V.P.; Rastunkov, V.S.

2004-01-01

It is shown that the irradiation of atomic clusters by a superintense femtosecond laser pulse gives rise to various harmonics of the laser field. They arise as a result of elastic collisions of free electrons with atomic ions inside the clusters in the presence of the laser filed. The yield of even harmonics whose electromagnetic field is transverse is attributed to the relativism of the motion of electrons and the consideration of their drift velocity associated with the internal ionization of atoms and atomic ions of a cluster. These harmonics are emitted in the same direction as odd harmonics. The conductivities and electromagnetic fields of the harmonics are calculated. The generation efficiency of the harmonics slowly decreases as the harmonic number increases. The generation of even harmonics ceases when the drift velocity of electrons becomes equal to zero and only the oscillation velocity of electrons is nonzero. The results can also be applied to the irradiation of solid-state targets inside a skin layer

Relativistic effects in iron-, ruthenium-, and osmium porphyrins

International Nuclear Information System (INIS)