Møller-Plesset Perturbation Theory: From Small Molecule Methods to Methods for Thousands of Atoms

Description

29 pages.Contents: Introduction The Basis of Møller-Plesset Perturbation Theory The Møller-Plesset Perturbation Operator Second order Møller-Plesset (MP2) Perturbation Theory Third order Møller-Plesset (MP3) Perturbation Theory Fourth order Møller-Plesset (MP4) Perturbation Theory Fifth and sixth order Møller-Plesset (MP5 and MP6) Perturbation Theory MPn Perturbation Theory with larger order n Development of MPn Methods with Low Order or Linear Scaling Properties Direct and semidirect MP2 Resolution of the Identity and Density Fitting: RI/DF-MP2 Cholesky Decomposition: CD-MP2 Pseudospectral approach: PS-MP2 Dual basis approach: DB-MP2 Laplace Transformation: LT-MP2 Use of atomic orbitals: AO-MP2 Local character of electron correlation: LMP2 Divide and Conquer approach: DC-MP2 Fragment molecular orbital approach: FMO-MP2 Parallelization of MP2 programs Combination methods and linear scaling Improvement of Low Order MPn Methods Spin-scaled MPn Dispersion corrected MPn Orbital optimized MP Explicitly correlated MP Conclusions and Outlook