The all configuration mean energy multiconfiguration self-consistent-field method. I. Equal configuration weights
Author:
Affiliation:
1. Chemical Sciences and Engineering Division, Argonne National Laboratory, Lemont, IL, USA
Publisher
Informa UK Limited
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Molecular Biology,Biophysics
Link
https://www.tandfonline.com/doi/pdf/10.1080/00268976.2019.1635275
Reference54 articles.
1. The Multiconfiguration Self-Consistent Field Method
2. Multiconfiguration Self-Consistent Field and Multireference Configuration Interaction Methods and Applications
3. MCSCF optimization through combined use of natural orbitals and the brillouin-levy-berthier theorem
4. Multiconfiguration wavefunctions for excited states. Selection of optimal configurations: The b 1Σ+ and d 1Σ+ states of NH
5. Optimization of orbitals for multiconfigurational reference states
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