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On the Applicability of Mathematical Constants and Sequences in Intermolecular Potential Energy Functions

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Six intermolecular potential energy functions incorporating mathematical functions such as the Golden ratio, Euler number and Pi, and three consecutive numbers in the Half Square, Lucas and Fibonacci sequences are proposed herein. It is shown that the Lucas potential function exhibits reasonable agreement with the Lennard-Jones(12-10) function, whilst the Golden ratio potential function describes the argon gas potential energy and the Lennard-Jones(14-7) function excellently. Both the Euler and Pi potential functions agree well with the Lennard-Jones(12-6) function, whilst the Fibonacci potential function exhibits very good correlation with the Lennard-Jones(9-6) function. The relatedness of the mathematical constants and sequences examined in this paper with application to intermolecular potential functions suggests their additional significance in the field of chemistry.

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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, Singapore, Republic of Singapore

    Teik-Cheng Lim

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  1. Teik-Cheng Lim
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Lim, TC. On the Applicability of Mathematical Constants and Sequences in Intermolecular Potential Energy Functions. J Math Chem 41, 381–391 (2007). https://doi.org/10.1007/s10910-006-9084-y

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  • DOI: https://doi.org/10.1007/s10910-006-9084-y

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