Performance of Quasi-Degenerate Scaled Opposite Spin Perturbation Corrections to Single Excitation Configuration Interaction for Excited State Structures and Excitation Energies with Application to the Stokes Shift of 9-Methyl-9,10-dihydro-9-silaphenanthrene-Reference-Cited by-同舟云学术

Performance of Quasi-Degenerate Scaled Opposite Spin Perturbation Corrections to Single Excitation Configuration Interaction for Excited State Structures and Excitation Energies with Application to the Stokes Shift of 9-Methyl-9,10-dihydro-9-silaphenanthrene

Published:2009-09-08 Issue:39 Volume:113 Page:10564-10576
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Rhee Young Min¹,Casanova David¹,Head-Gordon Martin¹

Affiliation:

1. Department of Chemistry, University of California, Berkeley, California 94720, and Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp903659u

Reference65 articles.

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4. Analytical second derivatives for excited electronic states using the single excitation configuration interaction method: theory and application to benzo[a]pyrene and chalcone

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