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.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
