Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование
Calculation of P, T-odd effects in 205TIF including electron correlation. / Petrov, A. N.; Mosyagin, N. S.; Isaev, T. A.; Titov, A. V.; Ezhov, V. F.; Eliav, E.; Kaldor, U.
в: Physical Review Letters, Том 88, № 7, 18.02.2002, стр. 730011-730014.Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование
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TY - JOUR
T1 - Calculation of P, T-odd effects in 205TIF including electron correlation
AU - Petrov, A. N.
AU - Mosyagin, N. S.
AU - Isaev, T. A.
AU - Titov, A. V.
AU - Ezhov, V. F.
AU - Eliav, E.
AU - Kaldor, U.
PY - 2002/2/18
Y1 - 2002/2/18
N2 - A method and codes for two-step correlation calculations of heavy-atom molecules in 205TlF were presented using the generalized relativistic effective core potential (GRECP) and relativistic coupled cluster (RCC) methods. A two-component electronic (pseudo)wave function was obtained with the 21-electron GRECP for Tl which provides electron density in the valence and outer core regions. The result shows that electron density obtained from the two-component GRECP/RCC (pseudo)wave function in the valence and outer core region is close to that of the corresponding all-electron four-component function.
AB - A method and codes for two-step correlation calculations of heavy-atom molecules in 205TlF were presented using the generalized relativistic effective core potential (GRECP) and relativistic coupled cluster (RCC) methods. A two-component electronic (pseudo)wave function was obtained with the 21-electron GRECP for Tl which provides electron density in the valence and outer core regions. The result shows that electron density obtained from the two-component GRECP/RCC (pseudo)wave function in the valence and outer core region is close to that of the corresponding all-electron four-component function.
UR - http://www.scopus.com/inward/record.url?scp=0037127701&partnerID=8YFLogxK
M3 - Article
AN - SCOPUS:0037127701
VL - 88
SP - 730011
EP - 730014
JO - Physical Review Letters
JF - Physical Review Letters
SN - 0031-9007
IS - 7
ER -
ID: 11882507