Evaluation of full valence correlation energies and gradients
Author:
Affiliation:
1. Department of Chemistry, University of Michigan, 930 N. University Ave., Ann Arbor, Michigan 48109, USA
Funder
Dow Chemical Company
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.5100934
Reference109 articles.
1. The complete active space SCF method in a fock-matrix-based super-CI formulation
2. A complete active space SCF method (CASSCF) using a density matrix formulated super-CI approach
3. A second order multiconfiguration SCF procedure with optimum convergence
4. Are atoms intrinsic to molecular electronic wavefunctions? I. The FORS model
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