Open AccessEnhancing the applicability of multicomponent time-dependent density functional theory
Author(s) -
Tanner Culpitt,
Yang Yang,
Fabijan Pavošević,
Zhen Tao,
Sharon HammesSchiffer
Publication year - 2019
Publication title -
the journal of chemical physics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.071
H-Index - 357
eISSN - 1089-7690
pISSN - 0021-9606
DOI - 10.1063/1.5099093
Subject(s) - time dependent density functional theory , open shell , density functional theory , proton , excitation , atomic physics , anharmonicity , basis set , chemistry , molecular vibration , electron , electronic structure , physics , molecule , computational chemistry , quantum mechanics
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