Analytic energy gradient for the projected Hartree–Fock method
نویسندگان
چکیده
منابع مشابه
Fully analytic energy gradient in the fragment molecular orbital method.
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ژورنال
عنوان ژورنال: The Journal of Chemical Physics
سال: 2014
ISSN: 0021-9606,1089-7690
DOI: 10.1063/1.4876490