Comparing the performance of TD-DFT and SAC-CI methods in the description of excited states potential energy surfaces: An excited state proton transfer reaction as case study

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Authors: Marika Savarese, Umberto Raucci, Ryoichi Fukuda, Carlo Adamo, Masahiro Ehara, Nadia Rega, Ilaria Ciofini

Journal title: Journal of Computational Chemistry

Journal number: 38/14

Journal publisher: John Wiley & Sons Inc.

Published year: 2017

Published pages: 1084-1092

DOI identifier: 10.1002/jcc.24780

ISSN: 0192-8651