Abstract
The commonly used generalized multipole expansion is divergent if applied on the description of pair interaction of large molecules in condensed phases. In the present series of papers a new convergent expansion of pair molecular interaction is therefore proposed and studied in detail.
In the first paper of the series a possible convergent expansion of site-site interaction is derived. In contrast to multipole series the new expansion is shown to converge for all configurations with finite value of the site-site interaction. The convergence conditions of the series are studied in detail for electrostatic term as well as for higher terms of the perturbation expansion of interaction.
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Šebek, J. Anisotropic molecular interactions I. The convergent expansion of site-site interaction. Czech J Phys 38, 1185–1193 (1988). https://doi.org/10.1007/BF01597285
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DOI: https://doi.org/10.1007/BF01597285