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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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Bonding and stabilities of small silicon clusters: A theoretical study of Si7–Si10

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Theoretical Investigations on Chalcogen−Chalcogen Interactions: What Makes These Nonbonded Interactions Bonding?

TL;DR: A detailed analysis based on symmetry adapted perturbation theory (SAPT) reveals that induction and dispersion forces contribute to the bonding in each case, and the interaction in the dimers 1-3 is mainly due to weak hydrogen bonding between methyl groups and chalcogen centers.
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The anharmonic force field of ethylene, C2H4, by means of accurate ab initio calculations

TL;DR: In this paper, the quartic force field of ethylene, C2H4, has been calculated ab initio using augmented coupled cluster, CCSD(T), methods and correlation consistent basis sets of spdf quality.
Journal ArticleDOI

Electronic Structure of Stable Carbenes, Silylenes, and Germylenes

TL;DR: In this paper, a strong π-donor stabilization of the carbene pπ orbital by the nitrogen lone pairs is found already in the C−C-saturated imidazolin-2-ylidene 2.
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