What is it about?
In order to clarify questions about the calculation of the exchange energy of a homonuclear molecular ion, an analysis is carried out of a model problem consisting of the one‐dimensional limit of H2+. It is demonstrated that the use of the infinite polarization expansion for the localized wave function in the Holstein–Herring formula yields an approximate exchange energy which at large internuclear distances R has the correct leading behavior to O(e−R) and is close to but not equal to the exact exchange energy. The extension to the n‐dimensional double‐well problem is presented.
Featured Image
Photo by Vincent van Zalinge on Unsplash
Why is it important?
This paper shows that the exact solutions for the gerade and ungerade states of the double well Dirac potential problem are in terms of the Lambert W function and clarified some issues concerning the convergence of the results from the perturbative series.
Perspectives
This paper turned out to be more seminal than previously realized. It would serve as a calculation benchmark for 1+1 dilatonic quantum gravity.
Dr Tony Cyril Scott
RWTH-Aachen University
Read the Original
This page is a summary of: The calculation of exchange forces: General results and specific models, The Journal of Chemical Physics, August 1993, American Institute of Physics,
DOI: 10.1063/1.465193.
You can read the full text:
Resources
Contributors
The following have contributed to this page
