Exchange-correlation functionals for low dimensional systems
Exchange energy functionals based on DME in 2D and corresponding correlation energy functional.
Colle-Salvetti type correlation energy functional.
Exchange – Correlation functionals in three-dimensions.
Long-range corrected hybrid functionals for molecular systems.
Screened meta-GGA hybrids for solids.
Development of the Pseudo-potential approach for meta-GGA functionals in plane wave basis set codes.
Development of the accurate semi-local exchange potential for band gap calculations.
Applying meta-GGA range-separated functionals in the time-dependent DFT.
TDDFT applied to molecules and solids with meta-GGA kernels.
Implementation of meta-GGA range-separated hybrid functionals in the all-electron codes.
Development of dielectric dependent meta-GGA level range-separated hybrid functionals.
Use of non-local van der Waals density functionals with semi-local exchange-correlation functionals.
Study of non-local electron correlation in biological molecules and their interaction with metal surfaces.
Study of the meta-GGA level hybrid functionals in the prediction of excited state properties:
A comprehensive comparison with many body GW approximations.