201 citations · 790 across the 10 of their papers we have counts for
3 papers · 1 filter
Verification of first-principles codes: comparison of total energies, phonon frequencies, electron-phonon coupling and zero-point motion correction to the gap between ABINIT and QE/Yambo
S. Poncé, G. Antonius, P. Boulanger +4
With the ever-increasing sophistication of codes, the verification of the implementation of advanced theoretical formalisms becomes critical. In particular, cross comparison betwee…
Many-body Green's function GW and Bethe-Salpeter study of the optical excitations in a paradigmatic model dipeptide
Carina Faber, Paul Boulanger, Ivan Duchemin +2
We study within the many-body Green's function GW and Bethe-Salpeter formalisms the excitation energies of a paradigmatic model dipeptide, focusing on the four lowest-lying local a…
Selecting Boron Fullerenes by Cage-Doping Mechanisms
Paul Boulanger, Maxime Moriniere, Luigi Genovese +1
So far, no boron fullerenes were synthesized: more compact sp3-bonded clusters are energetically preferred. To circumvent this, metallic clusters have been suggested by Pochet et a…