Λαθιωτάκης, Νεκτάριος N.Gross, E. K. U.Eich, F. G.Sharma, S.Dewhurst, J. K.Marques, M. A. L.COLLEGE PKAn 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.Adobe PDF[4]https://hdl.handle.net/10442/126921050-294710.1103/PhysRevA.79.040501engAmerican Physical SocietyPhysical Review Aelectron gaselectron correlationsdensity functional theoryautoionisationPhysics, Atomic, Molecular & ChemicalDensity-matrix-power functional: Performance for finite systems and the homogeneous electron gasΆρθρο σε επιστημονικό περιοδικό2009-04Δημοσίευση σε περιοδικόPublication in journalΟπτικήOpticsisi - Optics includes resources that deal with the genesis and propagation of light, the changes that it undergoes and produces, and other phenomena closely associated with it. Resources in this category cover subject areas such as lasers and laser technology, infrared physics and technology, microwave technology, quantum optics, lightwave technology, fiber optics, opto-electronics, and photonics. Resources on photometry and luminescence are also included in this category.Επιστημονικό άρθροScientific articleΕθνικό Ίδρυμα Ερευνών (ΕΙΕ)Greek Aggregator OpenArchives.gr | National Documentation Centre (EKT)