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Calculation of polarizability derivatives using analytic gradient methods

✍ Scribed by R.D. Amos

Publisher: Elsevier Science
Year: 1986
Tongue: English
Weight: 572 KB
Volume: 124
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(86)85037-0

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✦ Synopsis

Expressions are given for polarizability derivatives calculated using closed-shell SCF wavefunctions. and their implementation is discussed. Example calculations are given for H,O and (H,O),.

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