TY - JOUR
ID - 10442/12692
A1 - Lathiotakis, N. N. A1 - A1 - Sharma, S. A1 - A1 - Dewhurst, J. K. A1 - A1 - Eich, F. G. A1 - A1 - Marques, M. A. L. A1 - A1 - Gross, E. K. U.
Y1 - 2009///
T1 - Density-matrix-power functional: Performance for finite systems and the homogeneous electron gas
JF - Physical Review A
VL - 79
IS - 4
SN - 1050-2947
U3 - 10.1103/PhysRevA.79.040501
PB - American Physical Society
SP - [4]EP -
UR - https://hdl.handle.net/10442/12692
N2 - 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.
ER -