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 -