An Efficient Variational Principle for the Direct Optimization of Excited States
Author:
Affiliation:
1. Department of Chemistry, University of California, Berkeley, California 94720, United States
2. Chemical Science Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, United States
Funder
Basic Energy Sciences
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.6b00508
Reference45 articles.
1. On a variational method for determining excited state wave functions
2. Variational principle for excited states: Exact formulation and other extensions
3. On a variational method for calculating excited-state wavefunctions
4. Excited state wave functions
5. The Messmer method applied to a core potential problem: the lithium 2s wavefunction
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