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ArticleJ-GLOBAL ID:200902001843860743整理番号:92A0569440

Implementation of analytical first derivatives for evaluation of the many-body nonadiabatic wave function with explicitly correlated Gaussian functions.

多体非断熱波動関数の明白に相関するGauss関数による評価の際の解析一次導関数の使用

著者:KOZLOWSKI P M(Univ. Arizona, Arizona)、ADAMOWICZ L(Univ. Arizona, Arizona)
資料名:J Chem Phys 巻:96 号:12 ページ:9013-9024
発行年:1992年06月15日
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