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Results of diagonal ARPA calculations for LiH, HF, H2O and NH3

✍ Scribed by V. Carravetta; R. Moccia

Publisher: Elsevier Science
Year: 1978
Tongue: English
Weight: 439 KB
Volume: 57
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(78)80368-6

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✦ Synopsis

The aupented random phase approximation [ARPA) in its wonzl form has heen employed to compute the liueer response fimction for the molecules LiH. HF. He0 and NJ&. The calculatious have been carried out iueludiuR: (a) particleparticle pIus hole-hole @p f hh) terms; (b) parti:Ie-hoie plus hole-particie (ph + hp) terms and (c) pp f hh + ph + hp terms in order to have a numerical test OIL the capability of the ARPA in comparison with the standard random phase approximation @PA) teehuicRre. It wes found that by us@ !arSe basis sets, the differences between the two methods are neghgiile from a numerical viewpoint.

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