An orbital-dependent nonlocal correlation energy functional has been derived from an energy formula defined in the transcorrelated method. The obtained functional explicitly depends on a Jastrow function, which has been successfully used for the electron gas and solids. We found that our correlation energy functional is successfully used with the exact exchange energy functional and gives relatively good estimates for the total energy and the ionization potential for atoms and ions.
|Journal||Physical Review A - Atomic, Molecular, and Optical Physics|
|Publication status||Published - 2006|
ASJC Scopus subject areas
- Atomic and Molecular Physics, and Optics