39 citations · 53 across the 9 of their papers we have counts for
4 papers · 1 filter
Static polarizability and hyperpolarizability in atoms and molecules through a Cartesian-grid DFT
Tanmay Mandal, Abhisek Ghosal, Amlan K. Roy
Static electric response properties of atoms and molecules are reported within the real-space Cartesian grid implementation of pseudopotential Kohn-Sham (KS) density functional the…
Density functional electric response properties of molecules in Cartesian grid
Abhisek Ghosal, Tanmay Mandal, Amlan K. ~Roy
Within the finite-field Kohn-Sham framework, static electric response properties of diatomic molecules are presented. The electronic energy, dipole moment ({\boldmath}), static…
DFT calculations of atoms and molecules in Cartesian grids
Abhisek Ghosal, Amlan K. Roy
Density functional theory (DFT) has emerged as one of the most versatile and lucrative approaches in electronic structure calculations of many-electron systems in past four decades…
Information entropic measures of a quantum harmonic oscillator in symmetric and asymmetric confinement within an impenetrable box
Abhisek Ghosal, Neetik Mukherjee, Amlan K. Roy
Information-based uncertainty measures like Shannon entropy, Onicescu energy and Fisher information (in position and momentum space) are employed to understand the effect of \emph{…