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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
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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Comparison of Global Reactivity Descriptors Calculated Using Various Density Functionals: A QSAR Perspective

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Semiempirical double-hybrid density functional with improved description of long-range correlation.

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Low Scaling Algorithms for the Random Phase Approximation: Imaginary Time and Laplace Transformations

TL;DR: This paper determines efficient imaginary frequency and imaginary time grids for second-order Møller-Plesset (MP) perturbation theory and shows that the polarizabilities on the imaginary time axis can be Fourier-transformed to the imaginary frequency domain.
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Intermolecular Interaction between Hexafluorobenzene and Benzene: Ab Initio Calculations Including CCSD(T) Level Electron Correlation Correction

TL;DR: Both electrostatic and dispersion interactions stabilize the slipping-parallel hexafluorobenzene-benzene complex, which is the cause of the preference of the slipped- parallel orientation and the larger interaction energy of the complex compared to the benzene dimer.
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