A method is developed for solving the Schrödinger equation to obtain the eigenfunctions (z,R) and eigenvalues of an adsorbed atom. By solving a one-dimensional equation for a given position R on the surface, one generates an effective potential (R) for the problem of lateral motion. The leading correction to this Born-Oppenheimer-like approach is expressed in analytic form. A numerical calculation for the case of He on graphite illustrates the simplicity and accuracy of the method. The mean distance of a ground-state He4 atom is found to agree with an experimental result of Carneiro, Passell, Thomlinson, and Taub
QUASI-2-DIMENSIONAL APPROACH TO STATES OF AN ADSORBED ATOM
TOIGO, FLAVIO
1981
Abstract
A method is developed for solving the Schrödinger equation to obtain the eigenfunctions (z,R) and eigenvalues of an adsorbed atom. By solving a one-dimensional equation for a given position R on the surface, one generates an effective potential (R) for the problem of lateral motion. The leading correction to this Born-Oppenheimer-like approach is expressed in analytic form. A numerical calculation for the case of He on graphite illustrates the simplicity and accuracy of the method. The mean distance of a ground-state He4 atom is found to agree with an experimental result of Carneiro, Passell, Thomlinson, and TaubFile in questo prodotto:
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