How Beneficial Is the Explicit Account of Doubly-Excited Configurations in Linear Response Theory?
Author:
Affiliation:
1. Department of Chemistry, Kyungpook National University, Daegu 702-701, South Korea
2. Division of Chemistry and Chemical Engineering, California Institute of Technology, Pasadena, California 91125, United States
Funder
Samsung Science and Technology Foundation
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.0c01214
Reference73 articles.
1. Density-Functional Theory for Time-Dependent Systems
2. Time-dependent density functional theory: Past, present, and future
3. Progress in Time-Dependent Density-Functional Theory
4. A dressed TDDFT treatment of the 21Ag states of butadiene and hexatriene
5. Double excitations within time-dependent density functional theory linear response
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