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Exact calculation of exchange polarization energy for H ion

✍ Scribed by G. Chałasiński; B. Jeziorski

Book ID
104578275
Publisher
John Wiley and Sons
Year
1973
Tongue
English
Weight
502 KB
Volume
7
Category
Article
ISSN
0020-7608

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✦ Synopsis

Abstract

The exchange polarization energy and higher‐order exchange corrections arising in the second order of the Murrell‐Shaw and Musher‐Amos (MS‐MA) theory are evaluated analytically for the hydrogen molecule ion. At large internuclear distances the second‐order exchange energy predicted by MS‐MA theory behaves like \documentclass{article}\pagestyle{empty}\begin{document}$- \frac{1}{{18}}Re^{ - R}$\end{document}. It represents only 80% of the difference between the exact result of Holstein and the asymptotic value of the first‐order exchange energy. The same result holds for the case of Hirschfelder‐van der Avoird (HAV) and Hirschfelder‐Silbey (HS) theories.

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