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Testing Noncollinear Spin-Flip, Collinear Spin-Flip, and Conventional Time-Dependent Density Functional Theory for Predicting Electronic Excitation Energies of Closed-Shell Atoms
Xu, Xuefei, Yang, Ke R., Truhlar, Donald G.Volume:
10
Language:
english
Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/ct500128s
Date:
May, 2014
File:
PDF, 905 KB
english, 2014