Результаты исследований: Публикации в книгах, отчётах, сборниках, трудах конференций › глава/раздел › научная › Рецензирование
GENERALIZED RECPACCOUNTING FOR BREIT EFFECTS : URANIUM, PLUTONIUM AND SUPERHEAVY ELEMENTS 112, 113, 114. / Mosyagin, N. S.; Petrov, A. N.; Titov, A. V.; Tupitsyn, I. I.
Progress in Theoretical Chemistry and Physics. Springer Nature, 2006. стр. 229-251 (Progress in Theoretical Chemistry and Physics; Том 15).Результаты исследований: Публикации в книгах, отчётах, сборниках, трудах конференций › глава/раздел › научная › Рецензирование
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TY - CHAP
T1 - GENERALIZED RECPACCOUNTING FOR BREIT EFFECTS
T2 - URANIUM, PLUTONIUM AND SUPERHEAVY ELEMENTS 112, 113, 114
AU - Mosyagin, N. S.
AU - Petrov, A. N.
AU - Titov, A. V.
AU - Tupitsyn, I. I.
N1 - Publisher Copyright: © 2006, Springer.
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 - Core Electron
KW - Inner Core
KW - Nuclear Charge
KW - Outer Core
KW - Transition Energy
UR - http://www.scopus.com/inward/record.url?scp=33846380793&partnerID=8YFLogxK
U2 - 10.1007/1-4020-4528-X_11
DO - 10.1007/1-4020-4528-X_11
M3 - Chapter
AN - SCOPUS:33846380793
T3 - Progress in Theoretical Chemistry and Physics
SP - 229
EP - 251
BT - Progress in Theoretical Chemistry and Physics
PB - Springer Nature
ER -
ID: 95300086