Excited-state spin-contamination in time-dependent density-functional theory for molecules with open-shell ground states
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Biochemistry
Reference79 articles.
1. Time-dependent density functional theory for radicals
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4. Origin of Substituent Effects in the Absorption Spectra of Peroxy Radicals: Time Dependent Density Functional Theory Calculations
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