On the history of key empirical intermolecular potentials
Johann Fischer, Martin Wendland
Abstract
Intermolecular potentials are considered which were suggested between 1903 and 1971. These comprise the Mie potentials, the Lennard-Jones potentials, the Kihara potential, the numerically tabulated potential of Dymond and Alder and the multi-parameter potential of Barker, Fisher and Watts. Their origin is described as well as subsequent applications. An interesting item regarding the Mie potential is its twofold appearance as attractive mean field approximation and as n,m-potential. We also emphasize the big step forward made by London in 1930 who suggested an approximate solution of the Schrödinger equation leading to an attractive potential with inverse sixth power in the intermolecular distance. This work of London was the basis for the 12,6-Lennard-Jones potential which appeared in 1931. Results obtained in the literature for thermodynamic and transport properties with the considered potentials are shown and discussed.