Open AccessA multi-state fragment charge difference approach for diabatic states in electron transfer: Extension and automation
Author(s) -
ChouHsun Yang,
ChaoPing Hsu
Publication year - 2013
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 - 10.1063/1.4824906
Subject(s) - diabatic , excited state , hamiltonian (control theory) , charge (physics) , linear subspace , eigenvalues and eigenvectors , quantum mechanics , hamiltonian matrix , physics , atomic physics , chemistry , adiabatic process , symmetric matrix , mathematics , mathematical optimization , geometry
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