✦ LIBER ✦

Calculation of molecule-molecule intermolecular potentials using electron gas methods

✍ Scribed by Gregory A. Parker; Richard L. Snow; Russell T. Pack

Publisher: Elsevier Science
Year: 1975
Tongue: English
Weight: 403 KB
Volume: 33
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(75)85739-3

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✦ Synopsis

A procedure for extending electron gas calculations to rtlo!ecuie-r?lolecuIc interactions is presented which nllo~~s rapid determination of the dependence of intermolecular potentials on all vibration and rotiition coordinates. Results for HP-W aglee well with accurate SCF calculations.

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