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Charge-conserving integral approximations for ab initio quantum chemistry

✍ Scribed by Douglas L. Wilhite; Robert N. Euwema

Publisher: Elsevier Science
Year: 1973
Tongue: English
Weight: 326 KB
Volume: 20
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(73)80513-5

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✦ Synopsis

Two charge-conserving integral approximations are presented, one for nqlecting and another for approximating the less important integrals that arise in quantum chemicsl calculations on molecular systems. Results are presented for test calculations on ethylene and glycine.

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