TY - JOUR

T1 - High-Order Corrections and Its Effects on the Surface Tension of Simple Liquid Metals

AU - Lai, S. K.

AU - Wang, S.

PY - 1988

Y1 - 1988

N2 - The effect of high-order corrections to the usual secondorder perturbation theory has been demonstrated to be important in the literature. It appears that in the variational thermodynamic calculation based on the Gibbs-Bogoliubov inequality, although the choice of reference system is important and crucial in obtaining a reliable Helmholtz free energy, due attention must also be paid to the ‘true’ hamiltonian adopted in the theory. Motivated by this, we adopt a more reliable hamiltonian for calculating the surface tension of simple liquid metals. The effects of the above-noted corrections on the surface tension, derived using a full nonlocal pseudopotential, are examined and discussed.

AB - The effect of high-order corrections to the usual secondorder perturbation theory has been demonstrated to be important in the literature. It appears that in the variational thermodynamic calculation based on the Gibbs-Bogoliubov inequality, although the choice of reference system is important and crucial in obtaining a reliable Helmholtz free energy, due attention must also be paid to the ‘true’ hamiltonian adopted in the theory. Motivated by this, we adopt a more reliable hamiltonian for calculating the surface tension of simple liquid metals. The effects of the above-noted corrections on the surface tension, derived using a full nonlocal pseudopotential, are examined and discussed.

UR - http://www.scopus.com/inward/record.url?scp=84913464633&partnerID=8YFLogxK

U2 - 10.1524/zpch.1988.156.Part_2.451

DO - 10.1524/zpch.1988.156.Part_2.451

M3 - 期刊論文

AN - SCOPUS:84913464633

VL - 156

SP - 451

EP - 456

JO - Zeitschrift für Physikalische Chemie

JF - Zeitschrift für Physikalische Chemie

SN - 0942-9352

IS - Part_2

ER -