An exchange-correlation energy functional involving fractional power of the one-body reduced density matrix is applied to finite systems and to the homogeneous electron gas. The performance of the functional is assessed for the correlation and atomization energies of a large set of molecules and for the correlation energy of the homogeneous electron gas. High accuracy is found for these two very different types of systems.
|Physical Review A - Atomic, Molecular, and Optical Physics
|Published - 1 Apr 2009