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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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The vibrational spectra of krypton and xenon difluoride: High‐resolution infrared studies and ab initio calculations

TL;DR: In this paper, the Fourier transform infrared spectra of KrF2, XeF2 and monoisotopic 136XEF2 have been recorded in the ν3 and ν1+ν3 ranges with an effective resolution of 0.003-0.007 cm−1.
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Beyond Energies: Geometries of Nonbonded Molecular Complexes as Metrics for Assessing Electronic Structure Approaches.

TL;DR: It is established that intermolecular distance, as measured by, e.g., the center-of-mass separation of two molecules, is the geometric parameter that deviates most profoundly among the various methods and makes it an ideal metric for the development and evaluation of electronic structure methods.
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Resonant two-photon ionization study of jet-cooled amino acid: L-phenylalanine and its monohydrated complex

TL;DR: In this article, L-phenylalanine (Phe), one of the aromatic amino acids, and its hydrated clusters were generated in supersonic expansion and investigated by resonant two-photon ionization.
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5-Azido-1H-tetrazole – Improved Synthesis, Crystal Structure and Sensitivity Data

TL;DR: In this paper, an improved synthesis of 5-azido-1H-tetrazole (1) was presented, and the results of the subsequent detailed reinvestigation and characterization were given.
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