A complete iterative inversion procedure for second virial coefficient data: II. Applications

A new iterative procedure which enables potential energy functions to be obtained from second virial coefficient data has recently been devised and shown to work with essentially exact data. To examine the applicability of the method to real and imperfect data, we have tested it on pseudoexperimenta...

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Veröffentlicht in:Molecular physics 1981-03, Vol.42 (4), p.937-942
Hauptverfasser: Smith, E.B., Tindell, A.R., Wells, B.H., Crawford, F.W.
Format: Artikel
Sprache:eng
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Zusammenfassung:A new iterative procedure which enables potential energy functions to be obtained from second virial coefficient data has recently been devised and shown to work with essentially exact data. To examine the applicability of the method to real and imperfect data, we have tested it on pseudoexperimental data which, though calculated from a known potential energy function, incorporates random errors. The results show that the method works well on data containing random errors comparable with those believed to exist in the experimental measurements on argon. The procedure was also shown to be satisfactory when applied to the experimental data for argon.
ISSN:0026-8976
1362-3028
DOI:10.1080/00268978100100721