Van der Waals interactions between two hydrogen atoms: the next orders

DOI10.4310/CMS.2023.V21.N4.A2zbMATH Open1517.35189arXiv2007.04227MaRDI QIDQ6116201FDOQ6116201

Authors: É. Cancès, Rafaël Coyaud, L. Ridgway Scott 

Publication date: 17 July 2023

Published in: Communications in Mathematical Sciences (Search for Journal in Brave)

Abstract: We extend a method (E. Canc`es and L.R. Scott, SIAM J. Math. Anal., 50, 2018, 381--410) to compute more terms in the asymptotic expansion of the van der Waals attraction between two hydrogen atoms. These terms are obtained by solving a set of modified Slater-Kirkwood partial differential equations. The accuracy of the method is demonstrated by numerical simulations and comparison with other methods from the literature. It is also shown that the scattering states of the hydrogen atom, that are the states associated with the continuous spectrum of the Hamiltonian, have a major contribution to the C${}_6$ coefficient of the van der Waals expansion.

Full work available at URL: https://arxiv.org/abs/2007.04227

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zbMATH Keywords

electronic structurehydrogen moleculeVan der Waals force

Mathematics Subject Classification ID

PDEs in connection with quantum mechanics (35Q40) Closed and approximate solutions to the Schrödinger, Dirac, Klein-Gordon and other equations of quantum mechanics (81Q05) Perturbation theories for operators and differential equations in quantum theory (81Q15)

Cited In (8)

• Title not available (Why is that?)
• Van der Waals interactions between two hydrogen atoms: the Slater-Kirkwood method revisited
• A functional approach to the Van der Waals interaction
• Asymptotic model of exchange interactions for polarizability calculation of van der Waals complexes
• On the van der Waals interaction between a molecule and a half-infinite plate
• On boundedness of isomerization paths for non- and semirelativistic molecules
• Scale dependence of the retarded van der Waals potential
• Long-range van der Waals interaction

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