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20132019
most citedEfficient HF exchange evaluation through Fourier convolution in Cartesian grid for orbital-dependent density functionals

8 citations · 8 across the 4 of their papers we have counts for

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Showing 2019Show all

2 papers · 1 filter

physics.chem-ph2019

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…

physics.chem-ph2019

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…