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

DOI10.4310/CMS.2023.V21.N4.A2MaRDI QIDQ6116201zbMATH OpenFDO

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

Publication date 17 July 2023

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

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

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)

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.

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(8)

• scientific article; zbMATH DE number 1844076 (Why is no real title available?)
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• Asymptotic model of exchange interactions for polarizability calculation of van der Waals complexes
• A functional approach to the Van der Waals interaction
• On the van der Waals interaction between a molecule and a half-infinite plate
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• Scale dependence of the retarded van der Waals potential
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