Approximation of the Dymond-Rigby-Smith potential function using the Lennard-Jones form

DOI10.1007/S10910-008-9482-4zbMath1304.81159OpenAlexW2019665587MaRDI QIDQ839397

Teik-Cheng Lim

Publication date: 2 September 2009

Published in: Journal of Mathematical Chemistry (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1007/s10910-008-9482-4

zbMATH Keywords

Lennard-Jonesinert gasesDymond-Rigby-Smith

Mathematics Subject Classification ID

Interacting particle systems in time-dependent statistical mechanics (82C22) Molecular physics (81V55) Series expansions (e.g., Taylor, Lidstone series, but not Fourier series) (41A58)

Uses Software

• GROMOS

Cites Work

• Connection between the Ogilvie and the Murrell-Sorbie potential energy functions
• Application of extended-Rydberg parameters for extracting the 2-body portion of Kaxiras-Pandey function

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