The coefficient Bx(n; T) that determines the leading gradient contributions at finite temperature, T, to the nonlocal exchange free energy of a system of fermions interacting by a static screened Coulomb interaction u2(r) = (e2/r) e−λr has limiting behavior for small λ and T, which depends on the order in which the limits λ → 0 and T → 0 are taken. We isolate the quantity that is responsible for this nonuniformity of limits and present a numerical study of its dependence on λ and T. The physical reason for different limiting values of Bx(n; T) is given. We consider the applicability of these results to physical systems and also discuss the discrepancy between first principles and semiempirical determinations of the leading gradient expansion coefficient for the nonlocal ground-state exchange energy of atoms.

Nonlocal exchange contribution to the free energy of inhomogeneous many-fermion systems. III: Numerical study for screened Coulomb interaction

NEILSON, DAVID
1994-01-01

Abstract

The coefficient Bx(n; T) that determines the leading gradient contributions at finite temperature, T, to the nonlocal exchange free energy of a system of fermions interacting by a static screened Coulomb interaction u2(r) = (e2/r) e−λr has limiting behavior for small λ and T, which depends on the order in which the limits λ → 0 and T → 0 are taken. We isolate the quantity that is responsible for this nonuniformity of limits and present a numerical study of its dependence on λ and T. The physical reason for different limiting values of Bx(n; T) is given. We consider the applicability of these results to physical systems and also discuss the discrepancy between first principles and semiempirical determinations of the leading gradient expansion coefficient for the nonlocal ground-state exchange energy of atoms.
1994
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11581/242858
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