most citedQuantum Monte Carlo, time-dependent density functional theory, and density functional theory calculations of diamondoid excitation energies and Stokes shifts

31 citations · 32 across the 3 of their papers we have counts for

collaborators

3 papers

cond-mat.mes-hall2017★ 1 cited

Localization of electrons and magnetization in fluoro-graphene: A DFT+U study

F. Marsusi, M. J. Verstraete

Fluorine adatoms on graphene induce local changes in electronic and magnetic properties, and subtle correlation effects. We investigate the GGA and GGA+U approaches as possible sol…

cond-mat.mes-hall2017

Improving the Performance of Polythiophene-based Electronic devices by Controlling the Band Gap in the Presence of Graphene

F. Marsusi, I. A. Fedorov, S. Gerivani

Density functional theory (DFT) and many body perturbation theory at the GW level are employed to study the electronic properties of polythiophene (PT) adsorbed on graphene…

physics.atm-clus2011★ 31 cited

Quantum Monte Carlo, time-dependent density functional theory, and density functional theory calculations of diamondoid excitation energies and Stokes shifts

F. Marsusi, J. Sabbaghzadeh, N. D. Drummond

We have computed the absorption and emission energies and hence Stokes shifts of small diamondoids as a function of size using different theoretical approaches, including density f…