72 citations · 559 across the 42 of their papers we have counts for
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Grid-based density functional calculation of many-electron systems
Amlan K Roy
Exploratory variational pseudopotential density functional calculations are performed for the electronic properties of many-electron systems in the 3D cartesian coordinate grid (CC…
Pseudopotential density functional treament of atoms and molecules in cartesian coordinate grid
Amlan K. Roy
This is a follow-up of our recently proposed work on pseudopotential calculation (Ref. [21]) of atoms and molecules within DFT framework, using cartesian coordinate grid. Detailed…
Ground and excited states of Li, Be through a density-based approach
Amlan K. Roy, Abraham F. Jalbout
Density functional calculations are performed for ground [He]2s S, and three metastable bound excited states, 1s2s2p P, 1s2p S, 1s2s2p3p P$^…
Density functional calculation of many-electron systems in cartesian coordinate grid
Amlan K. Roy
A recently developed density functional method, within Hohenberg-Kohn-Sham framework, is used for faithful description of atoms, molecules in Cartesian coordinate grid, by using an…