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Qualitatively Correct Charge-Transfer Excitation Energies in HeH + by Time-Dependent Density-Functional Theory Due to Exact Exchange Kohn−Sham Eigenvalue Differences
Gimon, Tino, Ipatov, Andrey, Heßelmann, Andreas, Görling, AndreasVolume:
5
Language:
english
Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/ct800539a
Date:
April, 2009
File:
PDF, 211 KB
english, 2009