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Relationship Between Morse and Murrell-Mottram Potentials at Long Range

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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.

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Authors and Affiliations

  1. Faculty of Engineering, Nanoscience and Nanotechnology Initiative, National University of Singapore, 9 Engineering Drive 1, S 117576, Republic of Singapore

    Teik-Cheng Lim

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  1. Teik-Cheng Lim
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Lim, TC. Relationship Between Morse and Murrell-Mottram Potentials at Long Range. Journal of Mathematical Chemistry 36, 139–145 (2004). https://doi.org/10.1023/B:JOMC.0000038773.33727.e3

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  • DOI: https://doi.org/10.1023/B:JOMC.0000038773.33727.e3

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