Refractive index of rare-gas liquids: First-principles calculation
Journal Article
·
· Phys. Rev. B: Condens. Matter; (United States)
A self-consistent local-density scheme is used to compute the polarizability of rare-gas atoms in the liquid phase at the triple point. First-principles total-energy calculations are performed for the crystal, and Lennard-Jones parameters for interatomic potentials are deduced which are in reasonable agreement with empirical values. Hence, the environmental potential in the liquid is constructed with use of existing molecular-dynamics results for the pair correlation function of a Lennard-Jones fluid. It is suggested that such calculations provide an additional way of assessing effective pair potentials.
- Research Organization:
- Department of Physics and Astronomy and Center for Computational Sciences, University of Kentucky, Lexington, Kentucky 40506
- OSTI ID:
- 5310972
- Journal Information:
- Phys. Rev. B: Condens. Matter; (United States), Journal Name: Phys. Rev. B: Condens. Matter; (United States) Vol. 37:11; ISSN PRBMD
- Country of Publication:
- United States
- Language:
- English
Similar Records
Self-consistent-average-phonon equation of state. II. Comparison with solid-rare-gas experiments
Addendum to ''Density fluctuations in liquid rubidium''
Depolarized scattering of atomic fluids with variable polarizability
Journal Article
·
Thu Jan 14 23:00:00 EST 1982
· Phys. Rev. B: Condens. Matter; (United States)
·
OSTI ID:5788960
Addendum to ''Density fluctuations in liquid rubidium''
Journal Article
·
Fri Aug 01 00:00:00 EDT 1980
· Phys. Rev., A; (United States)
·
OSTI ID:5222310
Depolarized scattering of atomic fluids with variable polarizability
Journal Article
·
Tue May 01 00:00:00 EDT 1979
· J. Chem. Phys.; (United States)
·
OSTI ID:6284500