A simple method for the evaluation of the second-order-perturbation energy from external double-excitations with a CASSCF reference wavefunction
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Reference27 articles.
1. Direct configuration interaction with a reference state composed of many reference configurations
2. A complete active space SCF method (CASSCF) using a density matrix formulated super-CI approach
3. The complete active space SCF (CASSCF) method in a Newton–Raphson formulation with application to the HNO molecule
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