A New Benchmark Set for Excitation Energy of Charge...

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Journal of Chemical Theory and Computation 2020 / 06

A New Benchmark Set for Excitation Energy of Charge Transfer States: Systematic Investigation of Coupled-Cluster Type Methods

Kozma, Balázs, Tajti, Attila, Demoulin, Baptiste, Izsak, Robert, Nooijen, Marcel, Szalay, Péter G.
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Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/acs.jctc.0c00154
Date:
June, 2020
File:
PDF, 2.99 MB
2020
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