General technique for analytical derivatives of post-projected Hartree-Fock
Author:
Affiliation:
1. Graduate School of Science, Technology, and Innovation, Kobe University, Kobe, Hyogo 657-0025, Japan
2. Graduate School of System Informatics, Kobe University, Kobe, Hyogo 657-0025, Japan
Funder
High Performance Computing Infrastructure
Ministry of Education, Culture, Sports, Science and Technology (MEXT)
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Reference67 articles.
1. Quantum Theory of Many-Particle Systems. I. Physical Interpretations by Means of Density Matrices, Natural Spin-Orbitals, and Convergence Problems in the Method of Configurational Interaction
2. Quantum Theory of Many-Particle Systems. III. Extension of the Hartree-Fock Scheme to Include Degenerate Systems and Correlation Effects
3. Projected quasiparticle theory for molecular electronic structure
4. Projected Hartree–Fock theory
5. Extended Møller-Plesset perturbation theory for dynamical and static correlations
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