Communication: An inexpensive, variational, almost black-box, almost size-consistent correction to configuration interaction singles for valence excited states-Reference-Cited by-同舟云学术

Communication: An inexpensive, variational, almost black-box, almost size-consistent correction to configuration interaction singles for valence excited states

Published:2013-06-14 Issue:22 Volume:138 Page:221105
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Liu Xinle,Ou Qi,Alguire Ethan,Subotnik Joseph E.

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.4809571

Reference17 articles.

1. AB INITIO METHODS FOR THE DESCRIPTION OF ELECTRONICALLY EXCITED STATES: SURVEY OF METHODS AND SELECTED RESULTS

2. Communication: Configuration interaction singles has a large systematic bias against charge-transfer states

3. A doubles correction to electronic excited states from configuration interaction in the space of single substitutions

4. Inclusion of second-order correlation effects for the ground and singly-excited states suitable for the study of conical intersections: The CIS(2) model

5. Assessment of TD-DFT methods and of various spin scaled CIS(D) and CC2 versions for the treatment of low-lying valence excitations of large organic dyes

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