Analytic first derivatives of floating occupation molecular orbital-complete active space configuration interaction on graphical processing units

Hohenstein, Edward G.; Bouduban, Marine E. F.; Song, Chenchen; Luehr, Nathan; Ufimtsev, Ivan S.; Martínez, Todd J.

期刊名称The Journal of Chemical Physics
作者Hohenstein, Edward G.; Bouduban, Marine E. F.; Song, Chenchen; Luehr, Nathan; Ufimtsev, Ivan S.; Martínez, Todd J.
卷第143卷
期第1期
印刷ISSN0021-9606
电子ISSN1089-7690
文件大小3984.71KB
发表时间2015-07-07
DOI10.1063/1.4923259

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