Speaker
Description
The slow progress in systematically eliminating intrinsic errors in commonly used approximate functionals limits the applicability of functional-based descriptions to strongly correlated systems. Kohn-Sham density functional theory (KS-DFT) and reduced density matrix functional theory (RDMFT) represent two formally exact theoretical frameworks for the many-electron problem. Commonly, approximate functionals in KS-DFT and RDMFT have advantages in dealing with dynamic correlation and strong correlation, respectively. Hence, establishing a connection between both theories and developing an effective approach to combine functional approximations in both theories can create new possibilities for improving the predictive power of functional-based methods. This talk is about some effort in this direction in our group.