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An aspect of molecular dynamics on the CI potential energy surface

โœ Scribed by Koichi Yamashita; Akitomo Tachibana; Tokio Yamabe; Kenichi Fukui

Publisher
Elsevier Science
Year
1980
Tongue
English
Weight
324 KB
Volume
69
Category
Article
ISSN
0009-2614

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โœฆ Synopsis

A new method for the gradient of the CI adiabatic potential using an exact analytical formula has been developed-Some dynamxal aspects of formaldehyde are investigated as a prehninary exampie of the application of this me&ad.

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