scispace - formally typeset
Open AccessJournal ArticleDOI

Note on an Approximation Treatment for Many-Electron Systems

Chr. Møller, +1 more
- 01 Oct 1934 - 
- Vol. 46, Iss: 7, pp 618-622
Reads0
Chats0
TLDR
In this article, a perturbation theory for treating a system of n electrons in which the Hartree-Fock solution appears as the zero-order approximation was developed, and it was shown by this development that the first order correction for the energy and the charge density of the system is zero.
Abstract
A perturbation theory is developed for treating a system of n electrons in which the Hartree-Fock solution appears as the zero-order approximation. It is shown by this development that the first order correction for the energy and the charge density of the system is zero. The expression for the second-order correction for the energy greatly simplifies because of the special property of the zero-order solution. It is pointed out that the development of the higher approximation involves only calculations based on a definite one-body problem.

read more

Content maybe subject to copyright    Report





Citations
More filters
Book ChapterDOI

Quantum-Mechanical Prediction of Tautomeric Equilibria

TL;DR: In this article, the scope and limitations of quantum-mechanical methods and several aspects of the tautomeric equilibria of heterocyclic compounds are discussed.
Journal ArticleDOI

CH···N and CH···S Hydrogen BondsInfluence of Hybridization on Their Strength

TL;DR: The results show that CH4…SH2 and C2H4...SH2 complexes should be rather classified as van der Waals interactions and not as hydrogen bonds, in line with the previous findings on C-H...O hydrogen bonds.
Journal ArticleDOI

Adhesion energy of Cu atoms on the MgO(001) surface

TL;DR: In this paper, the interaction of an isolated Cu atom adsorbed on the oxygen sites of the regular MgO (001) surface with the aim of providing an accurate estimate of the adhesion energy was studied.
Journal ArticleDOI

The binding energies of the D2d and S4 water octamer isomers: high-level electronic structure and empirical potential results.

TL;DR: The newly established MP2/CBS limit for the water octamer is reproduced quite accurately by the newly developed all atom polarizable, flexible interaction potential (TTM2-F).
Journal ArticleDOI

Second-Order Møller-Plesset Perturbation Theory in the Condensed Phase: An Efficient and Massively Parallel Gaussian and Plane Waves Approach.

TL;DR: A novel algorithm, based on a hybrid Gaussian and plane waves (GPW) approach, is developed for the canonical second-order Møller-Plesset perturbation energy (MP2) of finite and extended systems and is highly efficient for condensed phase systems.
Related Papers (5)