A Fock-operator complete active space self-consistent field (CAS-SCF) method combined with frozen-density embedding
Author:
Affiliation:
1. Institute of Physical Chemistry, Karlsruhe Institute of Technology (KIT), Karlsruhe, Germany
2. Department of Chemistry, University of Oslo, Postboks 1033, Blindern, 0315 Oslo, Norway
Funder
Deutsche Forschungsgemeinschaft
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
https://aip.scitation.org/doi/pdf/10.1063/5.0037088
Reference53 articles.
1. Molecular Electronic-Structure Theory
2. Mapping the Excited State Potential Energy Surface of a Retinal Chromophore Model with Multireference and Equation-of-Motion Coupled-Cluster Methods
3. Current status of the multiconfiguration–configuration interaction (MC–CI) method as applied to molecules containing transition-metal atoms
4. Quantum Theory of Many-Particle Systems. III. Extension of the Hartree-Fock Scheme to Include Degenerate Systems and Correlation Effects
5. A new method for large-scale Cl calculations
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