Pair potential in liquid lead as a test case for the modified hypernetted-chain approximation
- 1 November 1989
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review A
- Vol. 40 (9) , 5434-5436
- https://doi.org/10.1103/physreva.40.5434
Abstract
The interionic pair potential derived from the measured structure factor S(Q) of liquid Pb at 613 K using the modified hypernetted-chain approximation was tested in the molecular-dynamics simulation and found to be inadequate. It is shown that the same simple model of the potential with three parameters, having been optimized in an iterative procedure involving the large-scale molecular-dynamics simulation, provides a very good fit to the original structure.Keywords
This publication has 10 references indexed in Scilit:
- Pair potential in liquid leadPhysical Review A, 1988
- Interionic potentials, pseudopotentials, and the structure factor of liquid leadPhysical Review A, 1988
- Iterative predictor-corrector method for extraction of the pair interaction from structural data for dense classical liquidsPhysical Review A, 1986
- Levesque, Weis, and Reatto RespondPhysical Review Letters, 1986
- Comment on "Pair Interaction from Structural Data of Dense Classical Liquids"Physical Review Letters, 1986
- Liquid Ge: A strongly coupled liquid with negligible bridge contributions to the structure factorPhysical Review B, 1986
- Determination of the pair potential and the ion-electron pseudopotential for aluminum from experimental structure-factor data for liquid aluminumPhysical Review B, 1983
- On the Relation Between the Effective Pair-potential and the Static Structure Factor in Liquid MetalsPhysics and Chemistry of Liquids, 1982
- Theory of simple classical fluids: Universality in the short-range structurePhysical Review A, 1979
- The structure factor for liquid leadPhysics and Chemistry of Liquids, 1977