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Non-additive effects in the first-order interaction energy of hydrogen atoms

✍ Scribed by W. Koḱlos; A. Leś

Publisher
Elsevier Science
Year
1972
Tongue
English
Weight
282 KB
Volume
14
Category
Article
ISSN
0009-2614

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✦ Synopsis

First-order three-nnd fox-body contributions to the interxtion enerB of 3 2nd 4 hydrogen atoms in their repulsive shtes of hi&est multiplicity btve been eekulated. In the case of He the multibody expansion of the interection eneiw converges slower for a square thzn for a tetrahedral configuration of the atoms. Relations between various multibody terms and overlap integralsare discussed.

Recently the non-additivity of interactions between closed-shell systems has received considerable attention (see refs.

📜 SIMILAR VOLUMES

Convergence properties and large-order b
Convergence properties and large-order behavior of the polarization expansion for the interaction energy of hydrogen atoms
✍ T. Ćwiok; B. Jeziorski; W. Kołos; R. Moszynski; J. Rychlewski; K. Szalewicz 📂 Article 📅 1992 🏛 Elsevier Science 🌐 English ⚖ 872 KB

High-order corrections in the polarization expansion for the interaction energy of two ground-state hydrogen atoms are computed for a wide range of interatomic distances R. At large R, the convergence radius p of the expansion is found to be only slightly greater than unity, e.g. p= 1.0000000031 at