Automatic Selection of an Active Space for Calculating Electronic Excitation Spectra by MS-CASPT2 or MC-PDFT

Published 2018 View Full Article

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Title
Automatic Selection of an Active Space for Calculating Electronic Excitation Spectra by MS-CASPT2 or MC-PDFT
Authors
Keywords
-
Journal
Journal of Chemical Theory and Computation
Volume 14, Issue 4, Pages 2017-2025
Publisher
American Chemical Society (ACS)
Online
2018-02-28
DOI
10.1021/acs.jctc.8b00032

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