том 375 издание 3-4 страницы 399-405

Prolapses in four-component relativistic Gaussian basis sets

Тип публикацииJournal Article
Дата публикации2003-07-01
scimago Q2
wos Q2
БС2
SJR0.546
CiteScore5.9
Impact factor3.1
ISSN00092614, 18734448
Physical and Theoretical Chemistry
General Physics and Astronomy
Краткое описание
The prolapse problem in the four-component relativistic Gaussian basis sets, recently developed by Koga, Tatewaki, and Matsuoka for the atoms 1 H through 103 Lr , is discussed. Deficiency in the number of s+ basis functions is pointed out for the atoms in the fourth and higher periods. A small prolapse is detected in the p− symmetry of the sixth and seventh period atoms. However, no problem is found for the remaining five symmetries.
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ГОСТ |
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Tatewaki H., Koga T., Mochizuki Y. Prolapses in four-component relativistic Gaussian basis sets // Chemical Physics Letters. 2003. Vol. 375. No. 3-4. pp. 399-405.
ГОСТ со всеми авторами (до 50) Скопировать
Tatewaki H., Koga T., Mochizuki Y. Prolapses in four-component relativistic Gaussian basis sets // Chemical Physics Letters. 2003. Vol. 375. No. 3-4. pp. 399-405.
RIS |
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TY - JOUR
DO - 10.1016/S0009-2614(03)00873-X
UR - https://doi.org/10.1016/S0009-2614(03)00873-X
TI - Prolapses in four-component relativistic Gaussian basis sets
T2 - Chemical Physics Letters
AU - Tatewaki, Hiroshi
AU - Koga, Toshikatsu
AU - Mochizuki, Yuji
PY - 2003
DA - 2003/07/01
PB - Elsevier
SP - 399-405
IS - 3-4
VL - 375
SN - 0009-2614
SN - 1873-4448
ER -
BibTex |
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BibTex (до 50 авторов) Скопировать
@article{2003_Tatewaki,
author = {Hiroshi Tatewaki and Toshikatsu Koga and Yuji Mochizuki},
title = {Prolapses in four-component relativistic Gaussian basis sets},
journal = {Chemical Physics Letters},
year = {2003},
volume = {375},
publisher = {Elsevier},
month = {jul},
url = {https://doi.org/10.1016/S0009-2614(03)00873-X},
number = {3-4},
pages = {399--405},
doi = {10.1016/S0009-2614(03)00873-X}
}
MLA
Цитировать
Tatewaki, Hiroshi, et al. “Prolapses in four-component relativistic Gaussian basis sets.” Chemical Physics Letters, vol. 375, no. 3-4, Jul. 2003, pp. 399-405. https://doi.org/10.1016/S0009-2614(03)00873-X.