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6 Wave Function-Based Correlation Methods

• 6.1 Introduction
• 6.2 Treatment and the Definition of Core Electrons
• 6.3 Møller-Plesset Perturbation Theory
• 6.4 Exact MP2 Methods
• 6.5 Local MP2 Methods
• 6.6 Auxiliary Basis (Resolution of the Identity) MP2 Methods
• 6.7 Attenuated MP2
• 6.8 Coupled-Cluster Methods
• 6.9 Non-iterative Corrections to Coupled Cluster Energies
• 6.10 Coupled Cluster Active Space Methods
• 6.11 Frozen Natural Orbitals in CCD, CCSD, OD, QCCD, and QCISD Calculations
• 6.12 Non-Hartree-Fock Orbitals in Correlated Calculations
• 6.13 Analytic Gradients and Properties for Coupled-Cluster Methods
• 6.14 Memory Options and Parallelization of Coupled-Cluster Calculations
• 6.15 Simplified Coupled-Cluster Methods Based on a Perfect-Pairing Active Space
• 6.16 Geminal Models