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The many‐body expansion of the potential energy function for elemental clusters
Author(s) -
Murrell J. N.
Publication year - 1990
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560370108
Subject(s) - convergence (economics) , chemistry , binding energy , potential energy , function (biology) , thermal expansion , crystal (programming language) , computational chemistry , thermodynamics , atomic physics , physics , evolutionary biology , computer science , economics , biology , programming language , economic growth
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\documentclass{article}\pagestyle{empty}\begin{document}$$ V = aV^{(2)} + bV^{(3)} $$\end{document} gives good binding energies for Li n (3