Electron nuclear dynamics with plane wave basis sets: complete theory and formalism
نویسندگان
چکیده
منابع مشابه
Density Functional Theory with a Linearized Augmented Plane Wave Basis
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ژورنال
عنوان ژورنال: Theoretical Chemistry Accounts
سال: 2020
ISSN: 1432-881X,1432-2234
DOI: 10.1007/s00214-020-2578-z