The derivation of an integral equation for rigid-body molecules was done with respect to site-density distribution function under arbitrary external fields using the density-functional theory. The original Percus idea was extended to molecular fluids using a grand canonical partition function of molecular systems. The site-density integral equation in combination with the extended Percus relation to molecular fluids gave a closure relation of reference interaction site model equation.
ASJC Scopus subject areas
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry