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Accuracy of RCC-SD and PT2/CI methods in all-electron and RECP calculations on Pb and Pb2+. / Isaev, T. A.; Mosyagin, N. S.; Kozlov, M. G.; Titov, A. V.; Eliav, E.; Kaldor, U.

в: Journal of Physics B: Atomic, Molecular and Optical Physics, Том 33, № 22, 28.11.2000, стр. 5139-5149.

Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование

Harvard

Isaev, TA, Mosyagin, NS, Kozlov, MG, Titov, AV, Eliav, E & Kaldor, U 2000, 'Accuracy of RCC-SD and PT2/CI methods in all-electron and RECP calculations on Pb and Pb2+', Journal of Physics B: Atomic, Molecular and Optical Physics, Том. 33, № 22, стр. 5139-5149. https://doi.org/10.1088/0953-4075/33/22/315

APA

Isaev, T. A., Mosyagin, N. S., Kozlov, M. G., Titov, A. V., Eliav, E., & Kaldor, U. (2000). Accuracy of RCC-SD and PT2/CI methods in all-electron and RECP calculations on Pb and Pb2+. Journal of Physics B: Atomic, Molecular and Optical Physics, 33(22), 5139-5149. https://doi.org/10.1088/0953-4075/33/22/315

Vancouver

Isaev TA, Mosyagin NS, Kozlov MG, Titov AV, Eliav E, Kaldor U. Accuracy of RCC-SD and PT2/CI methods in all-electron and RECP calculations on Pb and Pb2+. Journal of Physics B: Atomic, Molecular and Optical Physics. 2000 Нояб. 28;33(22):5139-5149. https://doi.org/10.1088/0953-4075/33/22/315

Author

Isaev, T. A. ; Mosyagin, N. S. ; Kozlov, M. G. ; Titov, A. V. ; Eliav, E. ; Kaldor, U. / Accuracy of RCC-SD and PT2/CI methods in all-electron and RECP calculations on Pb and Pb2+. в: Journal of Physics B: Atomic, Molecular and Optical Physics. 2000 ; Том 33, № 22. стр. 5139-5149.

BibTeX

@article{10996e55182245fab0a4cc1596ca8c88,
title = "Accuracy of RCC-SD and PT2/CI methods in all-electron and RECP calculations on Pb and Pb2+",
abstract = "Transition energy calculations for low-lying states of Pb and Pb2+ by the four-component versions of the Fock-space RCC-SD and PT2/CI methods are reported. Contributions of valence and core electron correlation are studied in all-electron calculations with the Dirac-Coulomb Hamiltonian. The accuracy of our generalized RECP and the RECP of Christiansen and co-workers is tested. The consideration of only one- and two-body amplitudes for valence electrons in the RCC method for Pb is shown not to be sufficient to reproduce valence excitations within 100-300 cm-1. Correcting RCC-SD results by estimated contributions of triple and quadruple excitations yields an accuracy of about 200 cm-1.",
author = "Isaev, {T. A.} and Mosyagin, {N. S.} and Kozlov, {M. G.} and Titov, {A. V.} and E. Eliav and U. Kaldor",
year = "2000",
month = nov,
day = "28",
doi = "10.1088/0953-4075/33/22/315",
language = "English",
volume = "33",
pages = "5139--5149",
journal = "Journal of the European Optical Society Part B: Quantum Optics",
issn = "0953-4075",
publisher = "IOP Publishing Ltd.",
number = "22",

}

RIS

TY - JOUR

T1 - Accuracy of RCC-SD and PT2/CI methods in all-electron and RECP calculations on Pb and Pb2+

AU - Isaev, T. A.

AU - Mosyagin, N. S.

AU - Kozlov, M. G.

AU - Titov, A. V.

AU - Eliav, E.

AU - Kaldor, U.

PY - 2000/11/28

Y1 - 2000/11/28

N2 - Transition energy calculations for low-lying states of Pb and Pb2+ by the four-component versions of the Fock-space RCC-SD and PT2/CI methods are reported. Contributions of valence and core electron correlation are studied in all-electron calculations with the Dirac-Coulomb Hamiltonian. The accuracy of our generalized RECP and the RECP of Christiansen and co-workers is tested. The consideration of only one- and two-body amplitudes for valence electrons in the RCC method for Pb is shown not to be sufficient to reproduce valence excitations within 100-300 cm-1. Correcting RCC-SD results by estimated contributions of triple and quadruple excitations yields an accuracy of about 200 cm-1.

AB - Transition energy calculations for low-lying states of Pb and Pb2+ by the four-component versions of the Fock-space RCC-SD and PT2/CI methods are reported. Contributions of valence and core electron correlation are studied in all-electron calculations with the Dirac-Coulomb Hamiltonian. The accuracy of our generalized RECP and the RECP of Christiansen and co-workers is tested. The consideration of only one- and two-body amplitudes for valence electrons in the RCC method for Pb is shown not to be sufficient to reproduce valence excitations within 100-300 cm-1. Correcting RCC-SD results by estimated contributions of triple and quadruple excitations yields an accuracy of about 200 cm-1.

UR - http://www.scopus.com/inward/record.url?scp=0034317540&partnerID=8YFLogxK

U2 - 10.1088/0953-4075/33/22/315

DO - 10.1088/0953-4075/33/22/315

M3 - Article

AN - SCOPUS:0034317540

VL - 33

SP - 5139

EP - 5149

JO - Journal of the European Optical Society Part B: Quantum Optics

JF - Journal of the European Optical Society Part B: Quantum Optics

SN - 0953-4075

IS - 22

ER -

ID: 11882908