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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 40, 1980 - Issue 3
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Original Articles

A complete iterative inversion procedure for second virial coefficient data

I. The method

, , &
Pages 705-712 | Received 11 Oct 1979, Published online: 22 Aug 2006
 

Abstract

A new iterative procedure is described which enables information about intermolecular potential functions to be obtained from second virial coefficient data. The method is tested on data simulated using a known potential energy function and found to give a successful inversion to recover both the attractive and repulsive branches of the generating function to high accuracy.

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