Pair Interaction from Structural Data for Dense Classical Liquids
- 4 February 1985
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review Letters
- Vol. 54 (5), 451-454
- https://doi.org/10.1103/physrevlett.54.451
Abstract
We show that deduction of the pair interaction from structural data for simple liquids is feasible even under the triple-point condition. We use an iterative predictor-corrector method based on the modified hypernetted-chain equation and on simulation. We show that simulation can give enough accuracy to test inversion schemes.Keywords
This publication has 14 references indexed in Scilit:
- Solution of an inverse problem: Maximum-overlap Jastrow function of the Lennard-Jones Bose fluidPhysical Review B, 1984
- Pair potentials in disordered many-particle systems: A study for liquid galliumPhysical Review A, 1983
- Determination of the pair potential and the ion-electron pseudopotential for aluminum from experimental structure-factor data for liquid aluminumPhysical Review B, 1983
- Structure of the ground-state wave function of quantum fluids and "exact" numerical methodsPhysical Review B, 1982
- A local thermodynamic criterion for the reference-hypernetted chain equationPhysics Letters A, 1982
- Theory of simple classical fluids: Universality in the short-range structurePhysical Review A, 1979
- Charge densities and interionic potentials in simple metals: Nonlinear effects. IIPhysical Review B, 1975
- Effective pair potentials for liquid Na and liquid KThe Journal of Chemical Physics, 1974
- Effective pair potentials for liquid Na and liquid KJournal of Physics C: Solid State Physics, 1972
- Ion-ion oscillatory potentials in liquid metalsProceedings of the Royal Society of London. Series A - Mathematical and Physical Sciences, 1964