Результаты исследований: Публикации в книгах, отчётах, сборниках, трудах конференций › статья в сборнике материалов конференции › Рецензирование
Generalized RECP accounting for Breit effects : Uranium, plutonium and superheavy elements 112, 113, 114. / Mosyagin, N. S.; Petrov, A. N.; Titov, A. V.; Tupitsyn, I. I.
RECENT ADVANCES IN THE THEORY OF CHEMICAL AND PHYSICAL SYSTEMS. ред. / JP Julien; J Maruani; D Mayou; S Wilson; G DelgadoBarrio. Springer Nature, 2006. стр. 229-251 (Progress in Theoretical Chemistry and Physics; Том 15).Результаты исследований: Публикации в книгах, отчётах, сборниках, трудах конференций › статья в сборнике материалов конференции › Рецензирование
}
TY - GEN
T1 - Generalized RECP accounting for Breit effects
AU - Mosyagin, N. S.
AU - Petrov, A. N.
AU - Titov, A. V.
AU - Tupitsyn, I. I.
N1 - Conference code: 9
PY - 2006
Y1 - 2006
N2 - The Generalized Relativistic Effective Core Potential (GRECP) method is described, which allows to simulate Breit interaction and finite nuclear models by an economic way with high accuracy. The corresponding GRECPs for the uranium, plutonium, eka-mercury (E112), eka-thallium (E113) and eka-lead (E114) atoms are generated. The accuracy of these GRECPs and of the RECPs of other groups is estimated in atomic numerical SCF calculations with Coulomb two-electron interactions and point nucleus as compared to the corresponding all-electron Hartree-Fock-Dirac-Breit calculations with the Fermi nuclear charge distribution. Different nuclear models and contributions of the Breit interaction between different shells are studied employing all-electron four-component methods.
AB - The Generalized Relativistic Effective Core Potential (GRECP) method is described, which allows to simulate Breit interaction and finite nuclear models by an economic way with high accuracy. The corresponding GRECPs for the uranium, plutonium, eka-mercury (E112), eka-thallium (E113) and eka-lead (E114) atoms are generated. The accuracy of these GRECPs and of the RECPs of other groups is estimated in atomic numerical SCF calculations with Coulomb two-electron interactions and point nucleus as compared to the corresponding all-electron Hartree-Fock-Dirac-Breit calculations with the Fermi nuclear charge distribution. Different nuclear models and contributions of the Breit interaction between different shells are studied employing all-electron four-component methods.
KW - QUANTUM ELECTRODYNAMICS
KW - DIRAC-EQUATION
KW - ALL-ELECTRON
KW - ATOMS HG
KW - POTENTIALS
M3 - статья в сборнике материалов конференции
SN - 1-4020-4527-1
T3 - Progress in Theoretical Chemistry and Physics
SP - 229
EP - 251
BT - RECENT ADVANCES IN THE THEORY OF CHEMICAL AND PHYSICAL SYSTEMS
A2 - Julien, JP
A2 - Maruani, J
A2 - Mayou, D
A2 - Wilson, S
A2 - DelgadoBarrio, G
PB - Springer Nature
Y2 - 25 September 2004 through 30 September 2004
ER -
ID: 11885178