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Exact formula for the gradient of the CI potential energy hypersurface

✍ Scribed by Akitomo Tachibana; Koichi Yamashita; Tokio Yamabe; Kenichi Fukui

Publisher: Elsevier Science
Year: 1978
Tongue: English
Weight: 375 KB
Volume: 59
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(78)89090-3

No coin nor oath required. For personal study only.

✦ Synopsis

We present the formula for the gadirnt af the Born-Oppenheimer adiabatic potential energy hypersurface usins the configuration irtteraction (CI) method.

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