Please use this identifier to cite or link to this item: https://doi.org/10.1023/B:JOMC.0000038773.33727.e3
Title: Relationship between Morse and Murrell-Mottram potentials at long range
Authors: Lim, T.-C. 
Keywords: covalent bonds
dissociation energy
interatomic potentials
Maclaurin's series
potential function
series approximation
Issue Date: Jun-2004
Citation: Lim, T.-C. (2004-06). Relationship between Morse and Murrell-Mottram potentials at long range. Journal of Mathematical Chemistry 36 (2) : 139-145. ScholarBank@NUS Repository. https://doi.org/10.1023/B:JOMC.0000038773.33727.e3
Abstract: This paper develops a relationship between the Morse potential and the Murrell-Mottram's 2-body potential. By expressing both potentials in terms of a repulsive term and an attractive term, and approximating Maclaurin's expansion, comparison of coefficients and indices of the repulsive and attractive terms leads to parametric connections between these two potential functions. Non-dimensional curves of these potentials at long range show good agreement as compared to those obtained previously. A set of parametric relationships obtained recently, together with the presently proposed connections, are useful in paving a way for the development of a potential function converter.
Source Title: Journal of Mathematical Chemistry
URI: http://scholarbank.nus.edu.sg/handle/10635/112643
ISSN: 02599791
DOI: 10.1023/B:JOMC.0000038773.33727.e3
Appears in Collections:Staff Publications

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