%0 Journal Article
%A Lathiotakis, Nektarios N.%A %A Sharma, S.%A %A Dewhurst, J. K.%A %A Eich, F. G.%A %A Marques, M. A. L.%A %A Gross, E. K. U.
%D 2009
%T Density-matrix-power functional: Performance for finite systems and the homogeneous electron gas
%J Physical Review A
%V 79
%@ 1050-2947
%R 10.1103/PhysRevA.79.040501
%I American Physical Society
%P [4]
%N 4
%U https://hdl.handle.net/10442/12692
%X An exchange-correlation energy functional involving fractional power of the one-body reduced density matrix [S. Sharma, J. K. Dewhurst, N. N. Lathiotakis, and E. K. U. Gross, Phys. Rev. B 78, 201103(R) (2008)] 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.
%> Αποθετήριο Ήλιος / ΕΙΕ