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The many-body expansion of the potential energy function for elemental clusters

✍ Scribed by J. N. Murrell

Publisher
John Wiley and Sons
Year
1990
Tongue
English
Weight
463 KB
Volume
37
Category
Article
ISSN
0020-7608

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✦ Synopsis

Abstract

The many‐body expansion of the potential energy function of elemental clusters is examined in general terms in regard to its convergence for microclusters and the bulk phase. The systems Be~n~ and Li~n~ are examined in detail. For Li it is clear that the many‐body expansion has no low‐order convergence, but it is shown that a potential of the form

gives good binding energies for Li~n~ (3

πŸ“œ SIMILAR VOLUMES

Cluster expansion for the energy of the
Cluster expansion for the energy of the many-electron atom in the nth order of the perturbation theory
✍ Yu.Yu. Dmitriev; V.B. Bochkariov; L.N. Labzovsky; M.N. Zashikhin πŸ“‚ Article πŸ“… 1971 πŸ› Elsevier Science 🌐 English βš– 206 KB

## A clus7er~exponzisn for the nth orqi c: correcrion fo rhe enqy of a mapy-elecrron atom is derived. A possible ap plic;ltion to the calculaticn of the t&d or&r correction to the energy is considuert.

Kinetics and dynamics of O + OClO reacti
Kinetics and dynamics of O + OClO reaction in a modified many-body expansion potential energy surface for ClO3
✍ O. B. M. Teixeira; J. M. C. Marques; A. J. C. Varandas πŸ“‚ Article πŸ“… 2007 πŸ› John Wiley and Sons 🌐 English βš– 719 KB

## Abstract The ClO~3~ many‐body expansion potential energy surface of Farantos and Murrell (__Int J Quantum Chem__ 1978, 14, 659) has been modified along the minimum energy path for the reaction O + OClO β†’ ClO + O~2~ such as to conform with the available kinetics data. The dynamics of the title re