Performance of one-body reduced density-matrix functionals for the homogeneous electron gas
Performance of one-body reduced density-matrix functionals for the homogeneous electron gas
The subject of this study is the exchange-correlation-energy functional of reduced density-matrix functional theory. Approximations of this functional are tested by applying them to the homogeneous electron gas. We find that two approximations recently proposed by Gritsenko et al., [J. Chem. Phys. 122, 204102 (2005)] yield considerably better correlation energies …