Silvia Maria Casassa
Titolo
Citata da
Citata da
Anno
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
12912014
CRYSTAL14 user’s manual
R Dovesi, VR Saunders, C Roetti, R Orlando, CM Zicovich-Wilson, ...
University of Torino, Torino, 382, 2014
8102014
Quantum-mechanical condensed matter simulation with CRYSTAL
R Dovesi, A Erba, R Orlando, CM Zicovich-Wilson, B Civalleri, L Maschio, ...
Rev.: Comput. Mol. Sci 8 (4), e1360, 2018
704*2018
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
2472008
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
2212005
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
1652007
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
1452012
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
982007
Oxide/Metal Interface Distance and Epitaxial Strain in the System
C Lamberti, E Groppo, C Prestipino, S Casassa, AM Ferrari, C Pisani, ...
Physical review letters 91 (4), 046101, 2003
962003
Quantum mechanical ab initio characterization of a simple periodic model of the silica surface
B Civalleri, S Casassa, E Garrone, C Pisani, P Ugliengo
The Journal of Physical Chemistry B 103 (12), 2165-2171, 1999
811999
TOPOND14 User's Manual
C Gatti, SM Casassa
CNR-ISTM, 2013
792013
Ab initio study of HCl and HF interaction with crystalline ice. I. Physical adsorption
G Bussolin, S Casassa, C Pisani, P Ugliengo
The Journal of chemical physics 108 (22), 9516-9528, 1998
791998
Proton-ordered ice structures at zero pressure. A quantum-mechanical investigation
C Pisani, S Casassa, P Ugliengo
Chemical Physics Letters 253 (3-4), 201-208, 1996
731996
Symmetry-adapted localized Wannier functions suitable for periodic local correlation methods
S Casassa, CM Zicovich-Wilson, C Pisani
Theoretical Chemistry Accounts 116 (4), 726-733, 2006
712006
Proton-ordered models of ordinary ice for quantum-mechanical studies
S Casassa, P Ugliengo, C Pisani
The Journal of chemical physics 106 (19), 8030-8040, 1997
671997
Structural, magnetic, and electronic properties of the NiO monolayer epitaxially grown on the (001) Ag surface: an ab initio density functional study
S Casassa, AM Ferrari, M Busso, C Pisani
The Journal of Physical Chemistry B 106 (50), 12978-12985, 2002
582002
Proton ordered cubic and hexagonal periodic models of ordinary ice
S Casassa, M Calatayud, K Doll, C Minot, C Pisani
Chemical physics letters 409 (1-3), 110-117, 2005
542005
CRYSTAL and EMBED, two computational tools for the ab initio study of electronic properties of crystals
C Pisani, R Dovesi, C Roetti, M Causà, R Orlando, S Casassa, ...
International Journal of Quantum Chemistry 77 (6), 1032-1048, 2000
502000
MP2 versus density-functional theory study of the Compton profiles of crystalline urea
A Erba, C Pisani, S Casassa, L Maschio, M Schütz, D Usvyat
Physical Review B 81 (16), 165108, 2010
472010
Periodic density functional theory and local-MP2 study of the librational modes of Ice XI
A Erba, S Casassa, R Dovesi, L Maschio, C Pisani
The Journal of chemical physics 130 (7), 074505, 2009
432009
Il sistema al momento non può eseguire l'operazione. Riprova più tardi.
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