Spin-orbit coupling with approximate equation-of-motion coupled-cluster method for ionization potential and electron attachment
Author:
Affiliation:
1. Institute of Atomic and Molecular Physics, Key Laboratory of High Energy Density Physics and Technology, Ministry of Education, Sichuan University, Chengdu 610065, People’s Republic of China
Funder
National Natural Science Foundation of China (NSFC)
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.4964859
Reference78 articles.
1. Coupled-cluster theory in quantum chemistry
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4. The equation of motion coupled‐cluster method. A systematic biorthogonal approach to molecular excitation energies, transition probabilities, and excited state properties
5. Coupled-cluster theory for excited electronic states: The full equation-of-motion coupled-cluster single, double, and triple excitation method
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