Open AccessCommunication: Smoothing out excited-state dynamics: Analytical gradients for dynamically weighted complete active space self-consistent field
Author(s) -
William J. Glover
Publication year - 2014
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 - 10.1063/1.4901328
Subject(s) - classification of discontinuities , excited state , complete active space , smoothing , potential energy , state space , ab initio , field (mathematics) , space (punctuation) , state (computer science) , physics , statistical physics , atomic physics , quantum mechanics , computer science , mathematics , molecule , algorithm , mathematical analysis , basis set , statistics , pure mathematics , computer vision , operating system
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