@article{Sharma_Dewhurst_Lathiotakis_Gross_2008, title={Reduced density matrix functional for many-electron systems}, volume={78}, ISSN={1098-0121}, archiveLocation={Ινστιτούτο Θεωρητικής και Φυσικής Χημείας (ΙΘΦΧ) - Επιστημονικό έργο}, url={https://hdl.handle.net/10442/12532}, DOI={10.1103/PhysRevB.78.201103}, abstractNote={Reduced density matrix functional theory for the case of solids is presented and an exchange-correlation functional based on a fractional power of the density matrix is introduced. We show that compared to other functionals, this produces more accurate behavior for total energies as a function of particle number for finite systems. Moreover, it captures the correct band-gap behavior for conventional semiconductors, as well as strongly correlated Mott insulators, where a gap is obtained in the absence of any magnetic ordering.}, number={20}, journal={Physical Review B}, publisher={American Physical Society}, author={Sharma, S. and Dewhurst, J. K. and Lathiotakis, Nektarios N. and Gross, E. K. U.}, year={2008}, month={Nov}, pages={[4]} }