Lennard-Jones bridge functions and triplet correlation functions

✍ Scribed by Attard, Phil

• Book ID: 121838862
• Publisher: American Institute of Physics
• Year: 1991
• Tongue: English
• Weight: 950 KB
• Volume: 95
• Category: Article
• ISSN: 0021-9606
• DOI: 10.1063/1.461770

✦ Synopsis

Bridge functions and triplet potentials of mean force are calculated for the Lennard-Jones fluid using the binodal chain closure approximation. Inclusion of the former in the hypernetted-chain closure for the pair correlation functions leads to substantially improved values for the virial pressure. The triplet function also appears reliable, being in reasonable agreement with the solution to the spherically inhomogeneous Ornstein–Zernike equation.