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THE SINGLE STEP INVERSE CALCULATIONS OF THE EFFECTIVE PAIR POTENTIALS FOR LIQUID LITHIUM

S. Dalgic1,* , S. S. Dalgic1

Affiliation

  1. Department of Physics, Trakya University, 22030 Edirne, Turkey

Abstract

It is presented the revised effective pair potentials for liquid lithium extracted from experimental structure data using the inverse method, which is based on the variational modified hypernetted-chain (VMHNC) integral equation theory of liquids. The reliability of the revised potential is supported by a comparison the neutral pseudoatom potential at sev eral thermodynamic states. Although the single-step VMHNC inversion yields acceptable re sults for the characteristic features of the density dependence of the revised potentials for liquid lithium, the difference in the medium behaviour of the Li potential is a cause of con cern. This discrepancy and the limitations of the approximate theories in the inverse calcula tions have been discussed with the possible improvements..

Keywords

Liquid lithium, Inverse method, Effective potentials, Variational modified hypernetted chain theory.

Submitted at: June 2, 2004
Accepted at: June 22, 2004

Citation

S. Dalgic, S. S. Dalgic, THE SINGLE STEP INVERSE CALCULATIONS OF THE EFFECTIVE PAIR POTENTIALS FOR LIQUID LITHIUM, Journal of Optoelectronics and Advanced Materials Vol. 6, Iss. 3, pp. 865-874 (2004)