An electron–gas plus damped‐dispersion calculation of the N2–N2 interactionJournal of Chemical Physics (1986)
AbstractWe present the results of a calculation of the N2–N2intermolecular potential using the modified Gordon–Kim (electron–gas) model with damped‐dispersion terms (MGKD potential). The calculated potential agrees well in the well region with other proposed potentials. An analytical form that fits the potential with an average error of 0.2% from the well region to 30 kK on the repulsive wall is given. Solid‐state properties, such as the 0 K phase diagram and the pressure–volume curve, are calculated and are in good agreement with experiment. As a test of the repulsive region, the shock Hugoniot calculated with this potential is compared with experiment and also shows good agreement.
- intermolecular forces,
- intermolecular potentials,
- phas diagrams,
- thermodynamic properties
Citation InformationRichard Alan Lesar and M. S. Shaw. "An electron–gas plus damped‐dispersion calculation of the N2–N2 interaction" Journal of Chemical Physics Vol. 84 (1986)
Available at: http://works.bepress.com/richard_lesar/30/