We present an analytical expression-for the local-field factor G(q) of the homogeneous electron gas which reproduces recently published quantum Monte Carlo data by Moroni, Ceperley, and Senatore [Phys. Rev. Lett. 75, 689 (1995)], reflects the theoretically known asymptotic behaviors for both small-and large-q limits, and allows us to express the exchange-correlation kernel K-xc analytically in both the direct and reciprocal space. The last property is particularly useful in numerical applications to real solids.

Analytical expressions for the local-held factor G(q) and the exchange-correlation kernel K-xc(r) of the homogeneous electron gas / M. Corradini, R. Del Sole, G. Onida, M. Palummo. - In: PHYSICAL REVIEW. B, CONDENSED MATTER. - ISSN 0163-1829. - 57:23(1998), pp. 14569-14571.

Analytical expressions for the local-held factor G(q) and the exchange-correlation kernel K-xc(r) of the homogeneous electron gas

G. Onida
Penultimo
;
1998

Abstract

We present an analytical expression-for the local-field factor G(q) of the homogeneous electron gas which reproduces recently published quantum Monte Carlo data by Moroni, Ceperley, and Senatore [Phys. Rev. Lett. 75, 689 (1995)], reflects the theoretically known asymptotic behaviors for both small-and large-q limits, and allows us to express the exchange-correlation kernel K-xc analytically in both the direct and reciprocal space. The last property is particularly useful in numerical applications to real solids.
Settore FIS/03 - Fisica della Materia
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Utilizza questo identificativo per citare o creare un link a questo documento: http://hdl.handle.net/2434/192215
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