Improved virtual orbitals in state specific multireference perturbation theory for prototypes of quasidegenerate electronic structure
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.4975322
Reference182 articles.
1. Equation-of-Motion Coupled-Cluster Methods for Open-Shell and Electronically Excited Species: The Hitchhiker's Guide to Fock Space
2. The Density Matrix Renormalization Group in Quantum Chemistry
3. Multireference Nature of Chemistry: The Coupled-Cluster View
4. Multiconfiguration Self-Consistent Field and Multireference Configuration Interaction Methods and Applications
5. Magnetic Interactions in Molecules and Highly Correlated Materials: Physical Content, Analytical Derivation, and Rigorous Extraction of Magnetic Hamiltonians
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2. Taming the excited states of butadiene, hexatriene, and octatetraene using state specific multireference perturbation theory with density functional theory orbitals;The Journal of Chemical Physics;2020-06-28
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