Extending the ASS1ST Active Space Selection Scheme to Large Molecules and Excited States
Author:
Affiliation:
1. Lehrstuhl für Theoretische Chemie, Ruhr-Universität Bochum, D-44780 Bochum, Germany
Funder
Deutsche Forschungsgemeinschaft
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.0c00332
Reference66 articles.
1. Multiconfiguration Self-Consistent Field and Multireference Configuration Interaction Methods and Applications
2. Multireference Approaches for Excited States of Molecules
3. How to select active space for multiconfigurational quantum chemistry?
4. The Density Matrix Renormalization Group in Quantum Chemistry
5. Stochastic Multiconfigurational Self-Consistent Field Theory
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