Coupled cluster methods including triple excitations for excited states of radicals
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.1835953
Reference57 articles.
1. Toward a systematic molecular orbital theory for excited states
2. A doubles correction to electronic excited states from configuration interaction in the space of single substitutions
3. A comparison of single reference methods for characterizing stationary points of excited state potential energy surfaces
4. On the Nature of Electronic Transitions in Radicals: An Extended Single Excitation Configuration Interaction Method
5. Equations-of-Motion Method and the Extended Shell Model
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