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 Kxc analytically in both the direct and reciprocal space. The last property is particularly useful in numerical applications to real solids.

Corradini, M., DEL SOLE, R., Onida, G., Palummo, M. (1998). Analytical expressions for the local-held factor G(q) and the exchange-correlation kernel K-xc(r) of the homogeneous electron gas. PHYSICAL REVIEW. B, CONDENSED MATTER, 57(23), 14569-14571 [10.1103/PhysRevB.57.14569].

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

DEL SOLE, RODOLFO;ONIDA, GIOVANNI;PALUMMO, MAURIZIA
1998-01-01

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 Kxc analytically in both the direct and reciprocal space. The last property is particularly useful in numerical applications to real solids.
1998
Pubblicato
Rilevanza internazionale
Articolo
Esperti anonimi
Settore FIS/03 - FISICA DELLA MATERIA
English
Con Impact Factor ISI
Corradini, M., DEL SOLE, R., Onida, G., Palummo, M. (1998). Analytical expressions for the local-held factor G(q) and the exchange-correlation kernel K-xc(r) of the homogeneous electron gas. PHYSICAL REVIEW. B, CONDENSED MATTER, 57(23), 14569-14571 [10.1103/PhysRevB.57.14569].
Corradini, M; DEL SOLE, R; Onida, G; Palummo, M
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/2108/98578
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