63 citations · 181 across the 11 of their papers we have counts for
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cond-mat.mtrl-sci2024★ 4 cited
Approximations in first-principles volumetric thermal expansion determination
Samare Rostami, Xavier Gonze
In the realm of thermal expansion determination, the quasiharmonic approximation (QHA) stands as a widely embraced method for discerning minima of free energies across diverse temp…
cond-mat.mtrl-sci2024★ 4 cited
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…
cond-mat.mtrl-sci2024★ 15 cited
Variational Density Functional Perturbation Theory for Metals
Xavier Gonze, Samare Rostami, Christian Tantardini
Density functional perturbation theory is a well-established method to study responses of molecules and solids, especially responses to atomic displacements or to different perturb…