Abstract
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.
| Original language | English |
|---|---|
| Article number | 040501 |
| Journal | Physical Review A - Atomic, Molecular, and Optical Physics |
| Volume | 79 |
| Issue number | 4 |
| DOIs | |
| State | Published - 1 Apr 2009 |
| Externally published | Yes |
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