39 citations · 53 across the 9 of their papers we have counts for
9 papers
Density Functional Tight-Binding Enables Tractable Studies of Quantum Plasmonics
Nikhil S. Chellam, Subhajyoti Chaudhuri, Abhisek Ghosal +2
Routine investigations of plasmonic phenomena at the quantum level present a formidable computational challenge due to the large system sizes and ultrafast timescales involved. Thi…
A self-consistent systematic optimization of range-separated hybrid functionals from first principles
Abhisek Ghosal, Amlan K. Roy
In this communication, we represent a self-consistent systematic optimization procedure for the development of optimally tuned (OT) range-separated hybrid (RSH) functionals from \e…
A real-time TDDFT scheme for strong-field interaction in Cartesian coordinate grid
Abhisek Ghosal, Amlan K. Roy
In this communication, we present a new approach towards RT-TDDFT through time-dependent KS equations based on an \emph{adiabatic eigenstate subspace} (AES) procedure. It introduce…
Excitation energies through Becke's exciton model within a Cartesian-grid KS DFT
Abhisek Ghosal, Tarun Gupta, Kishalay Mahato +1
Photon-induced electronic excitations are ubiquitously observed in organic chromophore. In this context, we present a simple, alternative time-independent DFT procedure, for comput…
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{…
Efficient HF exchange evaluation through Fourier convolution in Cartesian grid for orbital-dependent density functionals
Abhisek Ghosal, Tanmay Mandal, Amlan K. Roy
We present a purely numerical approach in Cartesian grid, for efficient computation of Hartree-Fock (HF) exchange contribution in the HF and density functional theory models. This…