Excited-state geometries and vibrational frequencies studied using the analytical energy gradients of the direct symmetry-adapted cluster–configuration interaction method. I. HAX-type molecules-Reference-Cited by-同舟云学术

Excited-state geometries and vibrational frequencies studied using the analytical energy gradients of the direct symmetry-adapted cluster–configuration interaction method. I. HAX-type molecules

Published:2011-07-28 Issue:4 Volume:135 Page:044316
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Ehara Masahiro,Oyagi Fumito,Abe Yoko,Fukuda Ryoichi,Nakatsuji Hiroshi

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.3617233

Reference54 articles.

1. A Series of Electronic Spectral Calculations Using Nonempirical CL Techniques

2. CI method for the study of general molecular potentials

3. Cluster expansion of the wavefunction. Symmetry‐adapted‐cluster expansion, its variational determination, and extension of open‐shell orbital theory

4. Cluster expansion of the wavefunction. Excited states

5. Cluster expansion of the wavefunction. Electron correlations in ground and excited states by SAC (symmetry-adapted-cluster) and SAC CI theories

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