Type:
Journal
Description:
The adiabatic connection integrand interpolation (ACII) method represents a general path for calculating correlation energies in electronic systems within the density functional theory. ACII functionals include both exact-exchange and the second-order correlation energy, as well as an interpolating function toward the strictly correlated electron (SCE) regime. Several interpolating functions have been proposed in the last years targeting different properties, yet an accurate ACII approach with broad applicability is still missing. Recently, we have proposed an ACII functional that was made accurate for the three-dimensional (3D) uniform electron gas as well as for model metal clusters. In this paper we present an ACII functional (named genISI2), which is very accurate for both three-dimensional (3D) and two-dimensional (2D) uniform electron gases and for the quasi-2D infinite-barrier model, where most of the exchange …
Publisher:
American Physical Society
Publication date:
15 Jun 2024
Biblio References:
Volume: 109 Issue: 23 Pages: 235129
Origin:
Physical Review B