IMPROVEMENT OF STO-KG BASIS SET ADOPTED IN LCAO-MO-SCF CALCULATIONS

来源 :科学通报：英文版 | 被引量 : 0次 | 上传用户：hhf1985

【摘要】

：

<正> Since 1977 ab initio MO calculation has been undertaken in Peking University. Some works have been finished and published, for example, on the study of ele

【作者】

：

吾榕之徐光宪黎乐民王秀珍朱芝仙

【机构】

：

DepartmentofChemistry.PekingUniversity,DepartmentofChemistry.PekingUniversity

【出处】

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科学通报：英文版

【发表日期】

：

1982年10期

【关键词】

：

PEKING AIH SINICA ANION finished SAVING

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<正> Since 1977 ab initio MO calculation has been undertaken in Peking University. Some works have been finished and published, for example, on the study of electronic structure of AIH4- anion (Scientia sinica, 24 （1981）, 956. We have also undertaken

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IMPROVEMENT OF STO-KG BASIS SET ADOPTED IN LCAO-MO-SCF CALCULATIONS

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