62 citations · 160 across the 4 of their papers we have counts for
4 papers
Separable Resolution-of-the-Identity with All-Electron Gaussian Bases: Application to Cubic-scaling RPA
Ivan Duchemin, Xavier Blase
We explore a separable resolution-of-the-identity formalism built on quadratures over limited sets of real-space points designed for all-electron calculations. Our implementation p…
Modelling the photochrome-TiO2 interface with Bethe-Salpeter and TD-DFT methods
Daniel Escudero, Ivan Duchemin, Xavier Blase +1
Hybrid organic/inorganic-semiconductor systems have important applications in both molecular electronics and in photo-responsive materials. The characterization of the interface an…
Exploring approximations to the GW self-energy ionic gradients
C. Faber, P. Boulanger, C. Attaccalite +4
The accuracy of the many-body perturbation theory GW formalism to calculate electron-phonon coupling matrix elements has been recently demonstrated in the case of a few important s…
Ab initio investigation of the melting line of nitrogen at high pressure
Davide Donadio, Leonardo Spanu, Ivan Duchemin +2
Understanding the behavior of molecular systems under pressure is a fundamental problem in condensed matter physics. In the case of nitrogen, the determination of the phase diagram…