Convergency studies of second and approximate second order multiconfigurational Hartree−Fock procedures
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.438363
Reference6 articles.
1. Optimization of orbitals for multiconfigurational reference states
2. Multiconfiguration wavefunctions obtained by application of the generalized Brillouin theorem
3. Multiconfiguration wave functions for highly excited states by the generalized brillouin theorem method
4. Roothaan-Hartree-Fock atomic wavefunctions
5. Atomic Central-Field Models for Open Shells with Application to Transition Metals
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