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

This document was uploaded by one of our users. The uploader already confirmed that they had the permission to publish it. If you are author/publisher or own the copyright of this documents, please report to us by using this DMCA report form.

Simply click on the Download Book button.

Yes, Book downloads on Ebookily are 100% Free.

Sometimes the book is free on Amazon As well, so go ahead and hit "Search on Amazon"

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

Author(s): Cremer D.

Language: English
Commentary: 1352794
Tags: Химия и химическая промышленность;Квантовая химия