Second-order MCSCF optimization revisited. I. Improved algorithms for fast and robust second-order CASSCF convergence
نویسندگان
چکیده
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ژورنال
عنوان ژورنال: The Journal of Chemical Physics
سال: 2019
ISSN: 0021-9606,1089-7690
DOI: 10.1063/1.5094644