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Multipole moments and polarizabilities of CH4

✍ Scribed by Geerd H.F. Diercksen; Andrzej J. Sadlej

Publisher: Elsevier Science
Year: 1985
Tongue: English
Weight: 527 KB
Volume: 114
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(85)85084-3

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✦ Synopsis

near Munrch, Federal Republic of Gwmany and Andrzej 3. SADLEJ Received 11 October lPg4;in f& form 3 December 1984

The multipole moments and polanrabilities of methane are calculated by using the finit.e-tield pert&&on approach withh the Hartree-Fock SCF approximation and a large, proper&oriented and partly optimized GTO/CGTO bash set. Because of the method of selecting the basis set, the multipole moments and pohrizabilities reported in this paper represent the best HF SCF values currently available for these properties_

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