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Dispersion forces, second- and third-order energies
Uppsala University, Disciplinary Domain of Science and Technology, Faculty of Mathematics and Science.
Uppsala University, Disciplinary Domain of Science and Technology, Faculty of Mathematics and Science.
1968 (English)In: Chemical Physics Letters, ISSN 0009-2614, E-ISSN 1873-4448, Vol. 2, no 5, 299-302 p.Article in journal (Refereed) Published
Abstract [en]

The properly symmetrized second order energy, epsilon(Q)(2). has been observed to approach one half of the correct dispersion energy epsilon(2) for large interactomic distances. We contend that the proper quantity to be examined is epsilon(Q)(2)lambda(Q). lambda(Q) approaches epsilon(Q)(2)/(epsilon(Q)(2) - epsilon(Q)(3)) approximate to 2 at R=8a(o) for H-2 and epsilon(Q)(2)/epsilon(Q)(3) approximate to 2. Hence E-o - epsilon(Q)(1) + epsilon(Q)(2) is a bad approximation.

Place, publisher, year, edition, pages
1968. Vol. 2, no 5, 299-302 p.
National Category
Chemical Sciences
Identifiers
URN: urn:nbn:se:uu:diva-177156DOI: 10.1016/0009-2614(68)80080-6ISI: 000202965900010OAI: oai:DiVA.org:uu-177156DiVA: diva2:539859
Available from: 2012-07-05 Created: 2012-07-04 Last updated: 2017-12-07Bibliographically approved

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