Open Access. Powered by Scholars. Published by Universities.®
Articles 1 - 1 of 1
Full-Text Articles in Physics
Perturbation‐Theoretic Approach To Potential‐Energy Curves Of Diatomic Molecules, Robert Parr, Ronald White
Perturbation‐Theoretic Approach To Potential‐Energy Curves Of Diatomic Molecules, Robert Parr, Ronald White
Center for Advanced Mineral and Metallurgical Processing (CAMP)
A perturbation theory is developed whereby the diatomic molecular potential energy W(R) as a function of the internuclear distance R is expressed, for R near Re, as a power series in the parameter λ = 1 − (Re/R), W(λ) = w0 + ∑ (wn − wn-1)λn.
Truncations of this series have the form of finite power series in R−1. The quantities wn are obtained simply as perturbation energies for a purely kinetic‐energy perturbation at Re, by setting up the problem in confocal elliptic coordinates, in …