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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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Six-site polarizable model of water based on the classical Drude oscillator

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Density functional theory with fractional orbital occupations

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The CO molecule: the role of basis set and correlation treatment in the calculation of molecular properties

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Dual-level direct dynamics calculations of the reaction rates for a jahn-teller reaction : hydrogen abstraction from ch4 or cd4 by o(3p)

TL;DR: In this article, the reaction rates of O(3P + CH4 → OH + CH3 and O( 3P + CD4 → OD + CD3 over the temperature range 300−2500 K were investigated.
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Two-body zeroth order hamiltonians in multireference perturbation theory: The APSG reference state

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