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Note on an Approximation Treatment for Many-Electron Systems

Chr. Møller, +1 more
- 01 Oct 1934 - 
- Vol. 46, Iss: 7, pp 618-622
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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.

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Size-consistent self-consistent truncated or selected configuration interaction

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Pendant Hydrogen-Bond Donors in Cobalt Catalysts Independently Enhance CO2 Reduction.

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Orbital-optimized opposite-spin scaled second-order correlation: An economical method to improve the description of open-shell molecules

TL;DR: A simple approximation where the orbitals are optimized with the mean-field energy plus a correlation energy taken as the opposite-spin component of the second-order many-body correlation energy, scaled by an empirically chosen parameter is presented.
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