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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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Computational Analysis of Amine-Borane Adducts as Potential Hydrogen Storage Materials with Reversible Hydrogen Uptake

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Gaussian Correlation Functions: Two‐Electron Systems

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Theoretical study of the HXYH dimers (X, Y = O, S, Se). Hydrogen bonding and chalcogen-chalcogen interactions

TL;DR: In this article, a theoretical study of the HXYH (X, Y, O, S and Se) monomers and dimers has been carried out by means of MP2 computational methods.
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Molecular Dynamics Potential of Mean Force Calculations: A Study of the Toluene−Ammonium π-Cation Interactions

TL;DR: In this article, the potential of mean force (PMF) curve generated by ammonium cation and the aromatic face of toluene in water has been examined by means of PMF calculations, showing that association is favorable in a polar aqueous medium.
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