Generalized Energy-Based Fragmentation Approach for Localized Excited States of Large Systems-Reference-Cited by-同舟云学术

Generalized Energy-Based Fragmentation Approach for Localized Excited States of Large Systems

Published:2016-11-23 Issue:48 Volume:120 Page:9667-9677
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Li Wei¹,Li Yunzhi¹,Lin Ruochen¹,Li Shuhua¹

Affiliation:

1. Institute of Theoretical and Computational Chemistry, Key Laboratory of Mesoscopic Chemistry of MOE, School of Chemistry and Chemical Engineering, Nanjing University, Nanjing 210023, People’s Repubic of China

Funder

National Natural Science Foundation of China

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.6b11193

Reference80 articles.

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

2. The equation of motion coupled‐cluster method. A systematic biorthogonal approach to molecular excitation energies, transition probabilities, and excited state properties

3. Calculation of size‐intensive transition moments from the coupled cluster singles and doubles linear response function

4. The second-order approximate coupled cluster singles and doubles model CC2

5. Second‐order perturbation theory with a complete active space self‐consistent field reference function

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