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Analytical energy gradient in variational calculations of the two lowest [sup 3]P states of the carbon atom with explicitly correlated Gaussian basis functions

Analytical energy gradient in variational calculations of the two lowest [sup 3]P states of the carbon atom with explicitly correlated Gaussian basis functions

Sharkey, Keeper L.; Bubin, Sergiy; Adamowicz, Ludwik

期刊名称The Journal of Chemical Physics
作者Sharkey, Keeper L.; Bubin, Sergiy; Adamowicz, Ludwik
卷第132卷
期第18期
印刷ISSN0021-9606
文件大小394.83KB
发表时间2010
DOI10.1063/1.3419931

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