activity
19992026
most citedExploring the role of electronic structure on photo-catalytic behavior of carbon-nitride polymorphs

40 citations · 324 across the 38 of their papers we have counts for

collaborators

39 papers

physics.atom-ph2026

Multiple ionization and charge equilibration in slow, multiply charged collision studied via L-MM Auger-Meitner electron spectroscopy

Rohit Tyagi, L. C. Tribedi, M. K. Harbola +1

We report energy and angle resolved absolute cross section measurements for LMM Auger-Meitner electron emission following collisions of hundred keV protons and $\mathrm{Ar^{3+/6+}}…

cond-mat.mtrl-sci2025

Kinetic energy functional constructed from exact gradient expansion of second order in uniform gas limit

Abhishek Bhattacharjee, Hemanadhan Myneni, Manoj K. Harbola +1

Orbital-Free Density Functional Theory (OFDFT) has re-emerged as a viable alternative to Kohn-Sham DFT, driven by recent advances in kinetic energy density functionals (KEDFs). Non…

physics.class-ph2025

On the action for a charged particle moving in a magnetic field

Manoj K. Harbola

Application of the Bohr-Wilson-Sommerfeld quantization condition to a charged particle in a uniform magnetic field requires knowledge of the canonical momentum of such a particle,…

cond-mat.mtrl-sci2023★ 17 cited

Density Functional Theory of Material Design: Fundamentals and Applications -- I

Prashant Singh, Manoj K Harbola

This article is part-I of a review of density-functional theory (DFT) that is the most widely used method for calculating electronic structure of materials. The accuracy and ease o…

cond-mat.mtrl-sci2023

Density Functional Theory of Material Design Fundamentals and Applications

Ashish Kumar, Prashant Singh, Manoj K. Harbola

This is the second and the final part of the review on density functional theory (DFT), referred to as DFT-II. In the first review, DFT-I, we have discussed wavefunction-based meth…

physics.atom-ph2020★ 3 cited

Using random numbers to obtain Kohn-Sham potential for a given density

Ashish Kumar, Manoj K. Harbola

Most of the density-to-potential inversion methods developed over the years follow a general algorithm , w…