On One-Dimensional Model for Exchange Forces
- 15 July 1971
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 55 (2) , 612-616
- https://doi.org/10.1063/1.1676127
Abstract
A one‐dimensional Schrödinger equation with the potential U(x) = (1 / 8R 2 )(x 2 − R 2 ) 2 is considered. Asymptotic expansions for eigenvalues E g,u = E 0 ∓ 1 2 ΔE for large R are presented. It is shown that the quantity ΔE obtained by means of the LCAO approximation exhibits incorrect behavior in the limit of large R . Comparisons of asymptotic formulae with results of numerical calculation are given.Keywords
This publication has 4 references indexed in Scilit:
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- One-Dimensional Model for Exchange ForcesThe Journal of Chemical Physics, 1968
- Exchange and Coulomb Energy of H2 Determined by Various Perturbation MethodsThe Journal of Chemical Physics, 1968
- Critique of the Heitler-London Method of Calculating Spin Couplings at Large DistancesReviews of Modern Physics, 1962