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5 Wave Function-Based Correlation Methods

• 5.1 Introduction
• 5.2 Treatment and the Definition of Core Electrons
• 5.3 Møller-Plesset Perturbation Theory
• 5.4 Exact MP2 Methods
• 5.5 Local MP2 Methods
• 5.6 Auxiliary Basis (Resolution of the Identity) MP2 Methods
• 5.7 Attenuated MP2
• 5.8 Coupled-Cluster Methods
• 5.9 Non-iterative Corrections to Coupled Cluster Energies
• 5.10 Coupled Cluster Active Space Methods
• 5.11 Frozen Natural Orbitals in CCD, CCSD, OD, QCCD, and QCISD Calculations
• 5.12 Non-Hartree-Fock Orbitals in Correlated Calculations
• 5.13 Analytic Gradients and Properties for Coupled-Cluster Methods
• 5.14 Memory Options and Parallelization of Coupled-Cluster Calculations
• 5.15 Simplified Coupled-Cluster Methods Based on a Perfect-Pairing Active Space
• 5.16 Geminal Models