Open AccessNonadiabatic couplings from a variational excited state method based on constrained DFT
Author(s) -
Pablo Ramos,
Michele Pavanello
Publication year - 2021
Publication title -
journal of chemical physics online/the journal of chemical physics/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 - 10.1063/5.0028872
Subject(s) - excited state , diabatic , conical intersection , wave function , density functional theory , physics , ground state , complete active space , perturbation theory (quantum mechanics) , quantum mechanics , computation , adiabatic process , mathematics , algorithm , basis set