On the nitrogen pair potential
- 1 April 1977
- journal article
- research article
- Published by Taylor & Francis in Molecular Physics
- Vol. 33 (4) , 979-986
- https://doi.org/10.1080/00268977700100891
Abstract
A non-product integration algorithm is used to compute the second virial coefficient of a number of potential functions proposed for nitrogen. It is shown that corrections to the orientational variation of the dispersion interaction assumed by a diatomic Lennard-Jones potential have a larger effect upon the second virial coefficient than does the inclusion of the electrostatic quadrupole interaction. We derive a nitrogen pair potential which should be useful for future research. This pair potential takes the form of an atomatom potential but unlike the diatomic Lennard-Jones potential has non-spherical inter-atomic interactions which combine to produce the known asymptotic form of the long-range interaction of two nitrogen molecules.This publication has 21 references indexed in Scilit:
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