In this work, we present a systematic study of the occupied and unoccupied electronic states of LaCoO3 compound using DFT, DFT+ U and DFT+embedded DMFT methods. The value of Uused here is evaluated...doi:10.1140/epjb/e2018-90116-7Dutta Paromita...
Magnetic properties of bulk and monolayer FeSe : A DFT+DMFT studysubstrate.Moon, Chang-YounAmerican Physical SocietyAPS March Meeting 2019... CY Moon - Aps March Meeting 被引量: 0发表: 2019年 Forces for structural optimizations in correlated materials within a DFT+embedded DMFT functional approach...
Studying the occupied and unoccupied electronic structure of LaCoO$_{3}$ by using DFT+embedded DMFT method with the calculated value of $extit{U}$doi:10.1140/epjb/e2018-90116-7Paromita DuttaSohan LalSudhir K. Pandey
We present a theoretical investigation of the electronic structure of rutile (metallic) and M-1 and M-2 monoclinic (insulating) phases of VO2 employing a fully self-consistent combination of density functional theory and embedded dynamical mean field theory calculations. We describe the electronic ...