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Beyond the Coulson–Fischer point: characterizing single excitation CI and TDDFT for excited states in single bond dissociations
Hait, Diptarka, Rettig, Adam, Head-Gordon, MartinVolume:
21
Year:
2019
Journal:
Physical Chemistry Chemical Physics
DOI:
10.1039/c9cp04452c
File:
PDF, 5.06 MB
2019