✦ LIBER ✦

Asymptotic energy and wave function of one-electron molecular orbital

✍ Scribed by Hiroshi Fukuda

Publisher: Elsevier Science
Year: 1994
Tongue: English
Weight: 386 KB
Volume: 78
Category: Article
ISSN: 0010-4655
DOI: 10.1016/0010-4655(94)90008-6

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✦ Synopsis

A program for the calculation of one-electron molecular energy and wave function for large inter nuclear distance R is reported. Asymptotic expansion of the energy and the wave function in inverse powers of R is obtained by solving the recurrence formula.

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