82 citations · 150 across the 6 of their papers we have counts for
6 papers
Electron-Phonon Coupling in Many-Body Perturbation Theory: Developments within the Quasiparticle Self-Consistent GW approximation and LMTO Formalism
Savio Laricchia, Casey Eichstaedt, Dimitar Pashov +1
The calculation of electron-phonon (e-ph) coupling from first principles is a topic of great interest in materials science, offering a robust, non-empirical framework to understand…
First-principles study of electronic transport and structural properties of CuSbS in its high-temperature phase
Cono di Paola, Francesco Macheda, Savio Laricchia +2
We present an ab initio study of the structural and electronic transport properties of tetrahedrite, CuSbS, in its high-temperature phase. We show how this comple…
Subsystem density functional theory with meta generalized gradient approximation exchange-correlation functionals
S. Śmiga, E. Fabiano, S. Laricchia +2
We analyze the methodology and the performance of subsystem density functional theory (DFT) with meta-generalized gradient approximation (meta-GGA) exchange-correlation functionals…
Frozen density embedding with non-integer subsystems' particle numbers
E. Fabiano, S. Laricchia, F. Della Sala
We extend the frozen density embedding theory to non-integer subsystems' particles numbers. Different features of this formulation are discussed, with special concern for approxima…
Laplacian-level kinetic energy approximations based on the fourth-order gradient expansion: Global assessment and application to the subsystem formulation of density functional theory
S. Laricchia, L. A. Constantin, E. Fabiano +1
We test Laplacian-level meta-generalized gradient approximation (meta-GGA) non-interacting kinetic energy functionals based on the fourth-order gradient expansion (GE4). We conside…
Semilocal and Hybrid Density Embedding Calculations of Ground-State Charge-Transfer Complexes
S. Laricchia, E. Fabiano, F. Della Sala
We apply the frozen density embedding method, using a full relaxation of embedded densities through a freeze-and-thaw procedure, to study the electronic structure of several benchm…