Lorenzo Maschio
Lorenzo Maschio
Verified email at unito.it
TitleCited byYear
CRYSTAL14: A program for the ab initio investigation of crystalline solids
R Dovesi, R Orlando, A Erba, CM Zicovich‐Wilson, B Civalleri, S Casassa, ...
International Journal of Quantum Chemistry 114 (19), 1287-1317, 2014
9472014
Periodic local MP2 method for the study of electronic correlation in crystals: Theory and preliminary applications
C Pisani, L Maschio, S Casassa, M Halo, M Schütz, D Usvyat
Journal of computational chemistry 29 (13), 2113-2124, 2008
2162008
Local-MP2 electron correlation method for nonconducting crystals
C Pisani, M Busso, G Capecchi, S Casassa, R Dovesi, L Maschio, ...
The Journal of chemical physics 122 (9), 094113, 2005
1982005
Intermolecular interaction energies in molecular crystals: comparison and agreement of localized møller–plesset 2, dispersion-corrected density functional, and classical …
L Maschio, B Civalleri, P Ugliengo, A Gavezzotti
The Journal of Physical Chemistry A 115 (41), 11179-11186, 2011
1412011
Fast local-MP2 method with density-fitting for crystals. I. Theory and algorithms
L Maschio, D Usvyat, FR Manby, S Casassa, C Pisani, M Schütz
Physical Review B 76 (7), 075101, 2007
1402007
Fast local-MP2 method with density-fitting for crystals. I. Theory and algorithms
L Maschio, D Usvyat, FR Manby, S Casassa, C Pisani, M Schütz
Physical Review B 76 (7), 075101, 2007
1402007
C ryscor: a program for the post-Hartree–Fock treatment of periodic systems
C Pisani, M Schütz, S Casassa, D Usvyat, L Maschio, M Lorenz, A Erba
Physical Chemistry Chemical Physics 14 (21), 7615-7628, 2012
1252012
Ab initio analytical Raman intensities for periodic systems through a coupled perturbed Hartree-Fock/Kohn-Sham method in an atomic orbital basis. I. Theory
L Maschio, B Kirtman, M Rérat, R Orlando, R Dovesi
The Journal of chemical physics 139 (16), 164101, 2013
1242013
Quantum‐mechanical condensed matter simulations with CRYSTAL
R Dovesi, A Erba, R Orlando, CM Zicovich‐Wilson, B Civalleri, L Maschio, ...
Wiley Interdisciplinary Reviews: Computational Molecular Science 8 (4), e1360, 2018
1082018
Fast local-MP2 method with density-fitting for crystals. II. Test calculations and application to the carbon dioxide crystal
D Usvyat, L Maschio, FR Manby, S Casassa, M Schütz, C Pisani
Physical Review B 76 (7), 075102, 2007
872007
Performance of six functionals (LDA, PBE, PBESOL, B3LYP, PBE0, and WC1LYP) in the simulation of vibrational and dielectric properties of crystalline compounds. The case of …
M De La Pierre, R Orlando, L Maschio, K Doll, P Ugliengo, R Dovesi
Journal of computational chemistry 32 (9), 1775-1784, 2011
852011
Ab initio analytical infrared intensities for periodic systems through a coupled perturbed Hartree-Fock/Kohn-Sham method
L Maschio, B Kirtman, R Orlando, M Rèrat
The Journal of chemical physics 137 (20), 204113, 2012
832012
Periodic local Møller–Plesset second order perturbation theory method applied to molecular crystals: Study of solid and using extended basis sets
L Maschio, D Usvyat, M Schütz, B Civalleri
The Journal of chemical physics 132 (13), 134706, 2010
672010
The Raman spectrum of CaCO3 polymorphs calcite and aragonite: A combined experimental and computational study
M De La Pierre, C Carteret, L Maschio, E André, R Orlando, R Dovesi
The Journal of chemical physics 140 (16), 164509, 2014
612014
Fitting of local densities in periodic systems
L Maschio, D Usvyat
Physical Review B 78 (7), 073102, 2008
602008
Local MP2 with density fitting for periodic systems: A parallel implementation
L Maschio
Journal of chemical theory and computation 7 (9), 2818-2830, 2011
552011
Second order local Møller-Plesset perturbation theory for periodic systems: The CRYSCOR Code
D Usvyat, L Maschio, C Pisani, M Schütz
Zeitschrift für Physikalische Chemie 224 (3-4), 441-454, 2010
542010
, M. Rérat and B. Kirtman
R Dovesi, R Orlando, A Erba, CM Zicovich-Wilson, B Civalleri, S Casassa, ...
Int. J. Quantum Chem 114, 1287-1317, 2014
512014
Ab initio study of van der Waals and hydrogen-bonded molecular crystals with a periodic local-MP2 method
L Maschio, D Usvyat, B Civalleri
CrystEngComm 12 (8), 2429-2435, 2010
512010
Role of dispersive interactions in the CO adsorption on MgO (001): periodic B3LYP calculations augmented with an empirical dispersion term
B Civalleri, L Maschio, P Ugliengo, CM Zicovich-Wilson
Physical Chemistry Chemical Physics 12 (24), 6382-6386, 2010
502010
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