Beyond the Lennard-Jones model : a simple and accurate potential function probed by high resolution scattering data useful for molecular dynamics simulations

Scattering data, measured for rare gas-rare gas systems under high angular and energy resolution conditions, have been used to probe the reliability of a recently proposed interaction potential function, which involves only one additional parameter with respect to the venerable Lennard-Jones (LJ) mo...

Ausführliche Beschreibung

Bibliographische Detailangaben

Veröffentlicht in:	Physical chemistry chemical physics : PCCP 2008-01, Vol.10 (36), p.5489-5503
Hauptverfasser:	PIRANI, Fernando, BRIZI, Simona, RONCARATTI, Luiz F, CASAVECCHIA, Piergiorgio, CAPPELLETTI, David, VECCHIOCATTIVI, Franco
Format:	Artikel
Sprache:	eng
Schlagworte:	Chemistry Computer Simulation Databases, Factual Exact sciences and technology General and physical chemistry Models, Chemical Noble Gases - chemistry Quantum Theory Spectrum Analysis Vibration
Online-Zugang:	Volltext
Tags:	Tag hinzufügen Keine Tags, Fügen Sie den ersten Tag hinzu!