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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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``Troublesome'' Vibrations of Aromatic Molecules in Second-Order Möller-Plesset and Density Functional Theory Calculations: Infrared Spectra of Phenol and Phenol-OD Revisited

TL;DR: In this article, the Fourier transform infrared (FT-IR) spectra of phenol and phenol-OD have been measured in carbon tetrachloride and cyclohexane solutions, in the frequency range 3700−400 cm-1, and the experimental integrated infrared intensities are reported.
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E2 and SN2 Reactions of X− + CH3CH2X (X = F, Cl); an ab Initio and DFT Benchmark Study

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Titan haze distribution and optical properties retrieved from recent observations

TL;DR: In this article, the spatial distribution of the haze layer above 100 km between 80°S and 70°N was investigated and the authors found that the haze opacity increases by a factor 3 from the south pole to the equator, then a constant value up to about 30°N and a decrease of a factor 2 between 30° N and about 60°N, but no haze accumulation is observed in the southern polar region.
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The possible covalent nature of N-H...O hydrogen bonds in formamide dimer and related systems: an ab initio study.

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Naphthalene dimer: Electronic states, excimers, and triplet decay

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