D. Rai

activity

20172021

most citedTunable Optoelectronic Properties of Triply-Bonded Carbon Molecules with Linear and Graphyne Substructures

7 citations · 7 across the 2 of their papers we have counts for

collaborators

Showing 2018Show all

3 papers · 1 filter

cond-mat.mtrl-sci2018

A Pariser-Parr-Pople Model Based Study of Optoelectronic Properties of Phenacenes

Deepak Kumar Rai, Alok Shukla

In this paper we present a computational study of linear optical absorption in phenacene class of polyaromatic hydrocarbons. For the purpose, we have employed a correlated-electron…

physics.atm-clus2018

Systematic First Principles Configuration-Interaction Calculations of Linear Optical Absorption Spectra in Silicon Hydrides : Si $_{2}$ H $_{2 n}$ ( $n = 1 - 3$ )

Pritam Bhattacharyya, Deepak Kumar Rai, Alok Shukla

We have performed first principles electron-correlated calculations employing large basis sets to optimize the geometries, and to compute linear optical absorption spectra of vario…

cond-mat.mtrl-sci2018

Excited States and Optical Properties of Hydrogen-Passivated Rectangular Graphenes: A Computational Study

Deepak Kumar Rai, Alok Shukla

In this paper, we perform large-scale electron-correlated calculations of optoelectronic properties of rectangular graphene-like polycyclic aromatic hydrocarbon molecules. Theoreti…

A Pariser-Parr-Pople Model Based Study of Optoelectronic Properties of Phenacenes

Systematic First Principles Configuration-Interaction Calculations of Linear Optical Absorption Spectra in Silicon Hydrides : Si2​H2n​ (n=1−3)

Excited States and Optical Properties of Hydrogen-Passivated Rectangular Graphenes: A Computational Study

Systematic First Principles Configuration-Interaction Calculations of Linear Optical Absorption Spectra in Silicon Hydrides : Si $_{2}$ H $_{2 n}$ ( $n = 1 - 3$ )