화학공학소재연구정보센터
Journal of Chemical Physics, Vol.119, No.7, 3810-3819, 2003
Generating functionals, consistency, and uniqueness in the integral equation theory of liquids
We discuss and illustrate through numerical examples the relations between generating functionals, thermodynamic consistency (in particular the virial-free-energy one), and uniqueness of the solution in the integral equation theory of liquids. We propose an approach for deriving closures automatically satisfying such characteristics. Results from a first exploration of this program are presented and discussed. (C) 2003 American Institute of Physics.