Plane-Wave Implementation and Performance of à-la-Carte Coulomb-Attenuated Exchange-Correlation Functionals for Predicting Optical Excitation Energies in Some Notorious Cases

Bircher, Martin Peter; Röthlisberger, Ursula

doi:10.1021/acs.jctc.8b00069

research article

Plane-Wave Implementation and Performance of à-la-Carte Coulomb-Attenuated Exchange-Correlation Functionals for Predicting Optical Excitation Energies in Some Notorious Cases

Bircher, Martin Peter

•

Röthlisberger, Ursula

May 4, 2018

J Chem Theory Comput

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