23 citations · 63 across the 5 of their papers we have counts for
5 papers
Nuclear Quantum Effects Induce Metallization of Dense Solid Molecular Hydrogen
Sam Azadi, Ranber Singh, T. D. Kühne
We present an accurate computational study of the electronic structure and lattice dynamics of solid molecular hydrogen at high pressure. The band-gap energies of the , ,…
Resonating Valence Bond Quantum Monte Carlo: Application to the ozone molecule
Sam Azadi, Ranber Singh, Thomas D. Kühne
We study the potential energy surface of the ozone molecule by means of Quantum Monte Carlo simulations based on the resonating valence bond concept. The trial wave function consis…
Anhamonic finite temperature effects on the Raman and Infrared spectra to determine the crystal structure phase III of solid molecular hydrogen
Ranber Singh, Sam Azadi, Thomas D. Kühne
We present theoretical calculations of the Raman and IR spectra, as well as electronic properties at zero and finite temperature to elucidate the crystal structure of phase III of…
Effects of charged defects on the electronic and optical properties of self-assembled quantum dots
Ranber Singh, Gabriel Bester
We investigate the effects of point charge defects on the single particle electronic structure, emission energies, fine structure splitting and oscillator strengths of excitonic tr…
Sample dependence of the structural, vibrational, and electronic properties of a-Si:H: A density-functional-based tight-binding study
Ranber Singh, S. Prakash, Nitya Nath Shukla +1
The sample dependence of various properties of hydrogenated amorphous silicon (-Si:H) have been studied with 216 silicon atoms and 24 hydrogen atoms using the density functional…