متابعة
Silvia Maria Casassa
عنوان
عدد مرات الاقتباسات
عدد مرات الاقتباسات
السنة
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
1855*2018
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
15232014
CRYSTAL14 user’s manual‏
R Dovesi, VR Saunders, C Roetti, R Orlando, CM Zicovich-Wilson, ...‏
University of Torino, Torino 265, 2014‏
11512014
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
2852008
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), 2005‏
2472005
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—Condensed Matter and Materials Physics 76 (7), 075101, 2007‏
1862007
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
1722012
CRYSTAL23: A program for computational solid state physics and chemistry‏
A Erba, JK Desmarais, S Casassa, B Civalleri, L Donà, IJ Bush, B Searle, ...‏
Journal of Chemical Theory and Computation 19 (20), 6891-6932, 2022‏
1602022
University of Torino‏
R Dovesi, VR Saunders, C Roetti, R Orlando, CM Zicovich-Wilson, ...‏
Torino (Italy), 2009‏
1592009
TOPOND14 User's Manual‏
C Gatti, SM Casassa‏
CNR-ISTM, 2013‏
1222013
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—Condensed Matter and Materials Physics 76 (7), 075102, 2007‏
1102007
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
1052003
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
881999
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
821996
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
811998
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
771997
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
752006
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
652002
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
562005
CRYSTAL and EMBED, two computational tools for the ab initio study of electronic properties of crystals‏
C Pisani, R Dovesi, C Roetti, M Causa, R Orlando, S Casassa, ...‏
International Journal of Quantum Chemistry 77 (6), 1032-1048, 2000‏
562000
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مقالات 1–20