We construct van der Waals corrected semilocal density functionals based on the Tao–Mo
(TM)(Phys. Rev. Lett. 2016, 117, 073001) metageneralized gradient approximation …

We propose accurate semianalytical wavefunctions for two-electron atomic systems in two-
dimensions. These wavefunctions take into account the cusp conditions arising due to the …

We present an approach based on density functional theory for the calculation of
fundamental gaps of both finite and periodic two-dimensional (2D) electronic systems. The …

Colle-Salvetti type energy functionals for dynamical correlation are constructed for two-
dimensional quantum systems. These correlation functionals depend on the 2D-Becke88 …

The basis constituents of any material that we experience every day are built up from nuclei
and electrons. Electrons which are the quantum particles repel each other due to Coulomb …

This work focuses on studying the adiabatic-connection in density functional theory in two
dimensions. It employs a recently developed accurate form of wavefunction for two-electron …

Understanding the electronic structure of atoms, molecules, complexes, solids, surfaces, and
nano-structures is helping in realizing the physical, chemical interactions, and predicting …

Electronic excitations play a prominent role in a large variety of physical properties of
materials, eg, quantum transport, heat transport, conductivity, and optical properties …