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Correlated pseudo-potential approach for molecules

✍ Scribed by D.J. David

Publisher: Elsevier Science
Year: 1970
Tongue: English
Weight: 331 KB
Volume: 7
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(70)87008-7

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✦ Synopsis

somewhat semi-empirical pseudo-potcnlial prwcliurc of tlcnling wilh the clcctron-corrckltion problem is presentccl. It consists of the introtluction ol n corrclntiun factor in coulombic bielectronic integrals. Influcncc of kinetic rncrgy upon lhc corrclalion f;~ctor is t:lkcn into ;~ccount. providin:: sntisfactory variation nlong 2 for the isoclcclroni~ serirs or hrlium. The formalis~n is directly :Ipplk%I,lc for molecules and prcliminnry rrsults for 112 nnd 1:~ arc giwn.

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