125 citations · 163 across the 4 of their papers we have counts for
4 papers
The temperature dependence of electronic eigenenergies in the adiabatic harmonic approximation
Samuel Poncé, Gabriel Antonius, Yannick Gillet +5
The renormalization of electronic eigenenergies due to electron-phonon interactions (temperature dependence and zero-point motion effect) is important in many materials. We address…
Efficient dielectric matrix calculations using the Lanczos algorithm for fast many-body implementations
Jonathan Laflamme Janssen, Bruno Rousseau, Michel Côté
We present a implementation that assesses the two major bottlenecks of traditional plane-waves implementations, the summations over conduction states and the inversion of…
Fermi-surface topology of the iron pnictide LaFeP
S. Blackburn, B. Prévost, M. Bartkowiak +12
We report on a comprehensive de Haas--van Alphen (dHvA) study of the iron pnictide LaFeP. Our extensive density-functional band-structure calculations can well explain the…
Study of Diketo-Pyrrolo-Pyrrole Polymers for Photovoltaic Applications
Simon Lévesque, Paolo E. Trevisanutto, Jean Frédéric Laprade +1
Using density-functional theory with the hybrid functional B3LYP, we investigate the electronic properties of polymers with diketo-pyrrolo-pyrrole (DPP) unit. We note that some of…