Open AccessReal-space pseudopotential method for computing the vibrational Stark effect
Author(s) -
Benjamin Garrett,
Ido Azuri,
Leeor Kronik,
James R. Chelikowsky
Publication year - 2016
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 - 10.1063/1.4965918
Subject(s) - pseudopotential , anharmonicity , spurious relationship , stark effect , ab initio , grid , ab initio quantum chemistry methods , periodic boundary conditions , density functional theory , field (mathematics) , space (punctuation) , boundary (topology) , chemistry , physics , molecule , boundary value problem , atomic physics , quantum mechanics , electric field , computer science , mathematics , geometry , machine learning , pure mathematics , operating system , mathematical analysis
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