Semiclassical neutral atom as a reference system in density functional theory LA Constantin, E Fabiano, S Laricchia, F Della Sala
Physical review letters 106 (18), 186406, 2011
148 2011 Generalized gradient approximations of the noninteracting kinetic energy from the semiclassical atom theory: Rationalization of the accuracy of the frozen density embedding … S Laricchia, E Fabiano, LA Constantin, F Della Sala
Journal of chemical theory and computation 7 (8), 2439-2451, 2011
106 2011 Structure, electronic, and optical properties of TiO2 atomic clusters: An ab initio study L Chiodo, M Salazar, AH Romero, S Laricchia, FD Sala, A Rubio
The Journal of chemical physics 135 (24), 2011
81 2011 Laplacian-level kinetic energy approximations based on the fourth-order gradient expansion: Global assessment and application to the subsystem formulation of density functional … S Laricchia, LA Constantin, E Fabiano, F Della Sala
Journal of chemical theory and computation 10 (1), 164-179, 2014
76 2014 Enhanced thermoelectric performance of Sn-doped Cu 3 SbS 4 K Chen, C Di Paola, B Du, R Zhang, S Laricchia, N Bonini, C Weber, ...
Journal of Materials Chemistry C 6 (31), 8546-8552, 2018
70 2018 Frozen density embedding with hybrid functionals S Laricchia, E Fabiano, F Della Sala
The Journal of chemical physics 133 (16), 2010
59 2010 Nonlocal energy-optimized kernel: Recovering second-order exchange in the homogeneous electron gas JE Bates, S Laricchia, A Ruzsinszky
Physical Review B 93 (4), 045119, 2016
41 2016 Fluorine–thiophene-substituted organic dyes for dye sensitized solar cells A Scrascia, L De Marco, S Laricchia, RA Picca, C Carlucci, E Fabiano, ...
Journal of Materials Chemistry A 1 (38), 11909-11921, 2013
37 2013 Subsystem density functional theory with meta-generalized gradient approximation exchange-correlation functionals S Śmiga, E Fabiano, S Laricchia, LA Constantin, F Della Sala
The Journal of Chemical Physics 142 (15), 2015
25 2015 Semilocal and hybrid density embedding calculations of ground-state charge-transfer complexes S Laricchia, E Fabiano, FD Sala
The Journal of chemical physics 138 (12), 2013
25 2013 On the accuracy of frozen density embedding calculations with hybrid and orbital-dependent functionals for non-bonded interaction energies S Laricchia, E Fabiano, FD Sala
The Journal of Chemical Physics 137 (1), 2012
24 2012 Frozen density embedding with non-integer subsystems’ particle numbers E Fabiano, S Laricchia, FD Sala
The Journal of chemical physics 140 (11), 2014
22 2014 Frozen density embedding calculations with the orbital-dependent localized Hartree–Fock Kohn–Sham potential S Laricchia, E Fabiano, F Della Sala
Chemical Physics Letters 518, 114-118, 2011
21 2011 First-principles study of electronic transport and structural properties of C Di Paola, F Macheda, S Laricchia, C Weber, N Bonini
Physical Review Research 2 (3), 033055, 2020
20 2020 Structural and electronic evolution in the Cu 3 SbS 4–Cu 3 SnS 4 solid solution K Chen, C Di Paola, S Laricchia, MJ Reece, C Weber, E McCabe, ...
Journal of Materials Chemistry C 8 (33), 11508-11516, 2020
19 2020 The role of exact‐exchange in the theoretical description of organic‐metal interfaces FD Sala, E Fabiano, S Laricchia, S D'Agostino, M Piacenza
International Journal of Quantum Chemistry 110 (12), 2162-2171, 2010
15 2010 DFT study of 1, 3-benzenedimethanethiol adsorption on Au (111) S Laricchia, F Ciriaco, L Cassidei, F Mavelli
Sensor Letters 8 (3), 521-527, 2010
3 2010 Electron-phonon coupling within Quasiparticle Self-consistent GW S Laricchia, N Bonini, M van Schilfgaarde
APS March Meeting Abstracts 2019, P22. 011, 2019
2 2019 Characterization of TiO2 atomic crystals for nanocomposite materials oriented to optoelectronics L Chiodo, A Massaro, S Laricchia, F Della Sala, R Cingolani, M Salazar, ...
Optical and Quantum Electronics 44, 291-296, 2012
2 2012 Electron-phonon coupling using many-body perturbation theory: Implementation in the questaal electronic structure suite S Laricchia, C Eichstaedt, D Pashov, M van Schilfgaarde
arXiv preprint arXiv:2404.02902, 2024
1 2024 
Fabio Della SalaCNR-IMM and IITبريد إلكتروني تم التحقق منه على le.imm.cnr.it