Efficiency of perturbation-selection and its orbital dependence in the SAC-CI calculations for valence excitations of medium-size molecules-Reference-Cited by-同舟云学术

Efficiency of perturbation-selection and its orbital dependence in the SAC-CI calculations for valence excitations of medium-size molecules

Published:2014-09-15 Issue:30 Volume:35 Page:2163-2176
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J. Comput. Chem.

Author:

Fukuda Ryoichi¹²,Ehara Masahiro¹²

Affiliation:

1. Institute for Molecular Science and Research Center for Computational Science; 38 Nishigo-naka Myodaiji Okazaki 444-8585 Japan.

2. Elements Strategy Initiative for Catalysts and Batteries (ESICB), Kyoto University Katsura; Kyoto 615-8520 Japan

Funder

Japan Society for the Promotion of Science (JSPS), Japan

Strategic Programs for Innovative Research

Computational Materials Science Initiative

MEXT (Ministry of Education Culture, Sports, Science and Technology, Japan) program “Elements Strategy Initiative to Form Core Research Center” (since 2012).

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Link

http://onlinelibrary.wiley.com/wol1/doi/10.1002/jcc.23729/fullpdf

Reference81 articles.

1. Cluster expansion of the wavefunction. Pseduo-orbital theory applied to spin correlation

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

3. Cluster expansion of the wavefunction. Excited states

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

5. Cluster expansion of the wavefunction. Calculation of electron correlations in ground and excited states by SAC and SAC CI theories

Cited by 20 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Photoionization of zwitterionic liquids;Journal of Molecular Liquids;2021-11

2. Combination of a Voronoi-Type Complex Absorbing Potential with the XMS-CASPT2 Method and Pilot Applications;Journal of Chemical Theory and Computation;2020-02-27

3. Pseudo-Jahn-Teller effect on the lowest triplet state of para-benzoquinone involving inequivalent carbonyl bonds;Chemical Physics Letters;2020-02

4. Theoretical prediction of valence and Rydberg excited states: Minnesota exchange‐correlation functionals vs symmetry adapted cluster‐configuration interaction;International Journal of Quantum Chemistry;2019-01-15

5. Quantum Chemical Study on the High-Pressure Effect for [4 + 4] Retrocycloaddition of Anthracene Cyclophane Photodimer;The Journal of Physical Chemistry C;2019-01-10