Hellmam-Feynman力的ad initio计算及在化学键研究中的应用I.理论与计算
杜奇石,彭周人
The ad initio calculation of the hellmann-feynman force and its applications in the study on the chemical bond. I. The theory and the calculation
DU QISHI;PENG ZHOUREN
化学学报
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1984, (9): 843
-849
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