S. Laricchia

activity

20132020

most citedSubsystem density functional theory with meta generalized gradient approximation exchange-correlation functionals

28 citations · 47 across the 3 of their papers we have counts for

collaborators

3 papers

cond-mat.mtrl-sci2020

First-principles study of electronic transport and structural properties of Cu $_{12}$ Sb $_{4}$ S $_{13}$ 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, Cu $_{12}$ Sb $_{4}$ S $_{13}$ , in its high-temperature phase. We show how this comple…

cond-mat.other2015★ 28 cited

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…

physics.chem-ph2013★ 19 cited

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…

First-principles study of electronic transport and structural properties of Cu12​Sb4​S13​ in its high-temperature phase

Subsystem density functional theory with meta generalized gradient approximation exchange-correlation functionals

Semilocal and Hybrid Density Embedding Calculations of Ground-State Charge-Transfer Complexes

First-principles study of electronic transport and structural properties of Cu $_{12}$ Sb $_{4}$ S $_{13}$ in its high-temperature phase