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English

An efficient method for calculating effective core potential integrals which involve projection operators

Contributors

Skylaris, Chris-Kriton; Gagliardi, Laura; Handy, Nicholas C.; Ioannou, Andrew G.; Spencer, Steven; Willetts, Andrew; Simper, Adrian M.

Published in

Chemical physics letters, vol. 296, no. 5-6, p. 445-451

Publication date

1998

Abstract

An efficient approach for evaluating effective core potential integrals which involve projection operators has been implemented in the MAGIC quantum chemistry program. The methodology is presented and its performance is examined through illustrative calculations on transition metal and actinide compounds.

UNIGE affiliation entities

UNIGE research groups

Citation (ISO format)

SKYLARIS, Chris-Kriton et al. An efficient method for calculating effective core potential integrals which involve projection operators. In: Chemical physics letters, 1998, vol. 296, n° 5-6, p. 445–451. doi: 10.1016/S0009-2614(98)01077-X

Main files (1)

Article (Published version)

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Additional URL for this publication

http://www.sciencedirect.com/science?_ob=MImg&_imagekey=B6TFN-3V5W85X-2-2G&_cdi=5231&_user=779890&_orig=search&_coverDate=11%2F13%2F1998&_sk=997039994&view=c&wchp=dGLbVtb-zSkzV&md5=968bd33e8e264f87a3ccc24471aab997&ie=/sdarticle.pdf

Journal ISSN

0009-2614
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527downloads

Technical informations

Creation

21/09/2009 16:10:26

First validation

21/09/2009 16:10:26

Update

14/03/2023 15:12:34

Status update

14/03/2023 15:12:34

Last indexation

29/10/2024 12:06:11
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