4 citations · 4 across the 2 of their papers we have counts for
4 papers
Low-temperature behavior of density-functional theory for metals based on density-functional perturbation theory and Sommerfeld expansion
Xavier Gonze, Christian Tantardini, Antoine Levitt
The temperature dependence of most solid-state properties is dominated by lattice vibrations, but metals display notable purely electronic effects at low temperature, such as the l…
Abinit 2025: New Capabilities for the Predictive Modeling of Solids and Nanomaterials
Matthieu J. Verstraete, Joao Abreu, Guillaume E. Allemand +71
Abinit is a widely used scientific software package implementing density functional theory and many related functionalities for excited states and response properties. This paper p…
Anisotropic temperature-dependent lattice parameters and elastic constants from first principles
Samare Rostami, Matteo Giantomassi, Xavier Gonze
The Quasi-harmonic Approximation (QHA) is a widely used method for calculating the temperature dependence of lattice parameters and the thermal expansion coefficients from first pr…
Polarons in the Cubic Generalized Fröhlich Model: Spontaneous Symmetry Breaking
Vasilii Vasilchenko, Xavier Gonze
Within the variational polaron equation framework, the Fröhlich model for cubic systems with three-fold degenerate electronic bands is numerically solved in the strong coupling reg…