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Van der Waals interactions between two-hydrogen atoms : the Slater-Kirkwood method revisited

Eric Cancès 1, 2 L. Ridgway Scott 3
1 MATHERIALS - MATHematics for MatERIALS
CERMICS - Centre d'Enseignement et de Recherche en Mathématiques et Calcul Scientifique, Inria Paris-Rocquencourt, ENPC - École des Ponts ParisTech
Abstract : We examine a technique of Slater and Kirkwood [22] which provides an exact resolution of the asymptotic behavior of the van der Waals attraction between two hydrogen atoms. We modify their technique to make the problem more tractable analytically and more easily solvable by numerical methods. Moreover, we prove rigorously that this approach provides an exact solution for the asymptotic electron correlation. The proof makes use of recent results [1] that utilize the Feshbach-Schur perturbation technique. We provide visual representations of the asymptotic electron correlation (entanglement) based on the use of Laguerre approximations.
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https://hal.inria.fr/hal-01153387
Contributor : Cances Eric <>
Submitted on : Tuesday, May 19, 2015 - 5:03:08 PM
Last modification on : Saturday, November 30, 2019 - 1:21:41 AM
Long-term archiving on: : Thursday, April 20, 2017 - 3:35:52 AM

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  • HAL Id : hal-01153387, version 1

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Eric Cancès, L. Ridgway Scott. Van der Waals interactions between two-hydrogen atoms : the Slater-Kirkwood method revisited . 2015. ⟨hal-01153387⟩

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