activity
20202026
most citedAccurate and efficient prediction of the band gaps and optical spectra of chalcopyrite semiconductors from a non-empirical range-separated dielectric-dependent hybrid: Comparison with many-body perturbation theory

12 citations · 28 across the 9 of their papers we have counts for

collaborators
Showing 2020Show all

2 papers · 1 filter

cond-mat.mtrl-sci2020

Hybrid atomic orbital basis from first principles: Bottom-up mapping of self-energy correction to large covalent systems

Manoar Hossain, Joydev De, Joydeep Bhattacharjee

Construction of hybrid atomic orbitals is proposed as the approximate common eigen states of finite first moment matrices. Their hybridization and orientation can be a-priori tunne…

cond-mat.mtrl-sci2020★ 5 cited

Transferability of self-energy correction in tight-binding basis constructed from first principles

Manoar Hossain, Joydeep Bhattacharjee

We demonstrate in this work the transferability of self-energy(SE) correction(SEC) of Kohn-Sham(KS) single particle states from smaller to larger systems, when mapped through local…