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C. Pisani M. Busso G. Capecchi S. Casassa R. Dovesi L. Maschio C. Zicovich-Wilson M. Schütz J. Chem. Phys. 2005 122 094133
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23
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84855368121
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ed. F. R. Manby, CRC Press, Boca Raton, FL
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M. Schütz, D. Usvyat, M. Lorenz, C. Pisani, L. Maschio, S. Casassa and M. Halo, in Accurate Condensed Phase Quantum Chemistry, ed., F. R. Manby, CRC Press, Boca Raton, FL, 2010, p. 29
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Accurate Condensed Phase Quantum Chemistry
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R. Dovesi, V. R. Saunders, C. Roetti, R. Orlando, C. M. Zicovich-Wilson, F. Pascale, K. Doll, N. M. Harrison, B. Civalleri and I. J. Bush, et al., CRYSTAL09 User's Manual, Università di Torino, Torino, 2010, http://www.crystal.unito.it
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Doll, K.7
Harrison, N.M.8
Civalleri, B.9
Bush, I.J.10
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34
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85032765357
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Accurate calculations of the cohesive energy in molecular crystals: The role of embedding in the convergence of the incremental expansion
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C. Müller D. Usvyat Accurate calculations of the cohesive energy in molecular crystals: the role of embedding in the convergence of the incremental expansion J. Chem. Phys. 2011
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51
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79952504398
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Local ab initio methods for calculation optical band gaps in periodic systems: II. Periodic density fitted Configuration Interaction Singles method for solids
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to be submitted
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M. Lorenz D. Usvyat L. Maschio M. Schütz Local ab initio methods for calculation optical band gaps in periodic systems: II. Periodic density fitted Configuration Interaction Singles method for solids J. Chem. Phys. 2011
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of Lecture Notes in Chemistry Series, Springer Verlag, Berlin
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C. Pisani, R. Dovesi and C. Roetti, Hartree-Fock Ab initio Treatment of Crystalline Solids, vol. 48 of Lecture Notes in Chemistry Series, Springer Verlag, Berlin, 1988
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84861181901
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R. Martinez-Casado, D. Usvyat, G. Mallia, L. Maschio, S. Casassa, M. Schütz, N. M. Harrison, Scattering of helium on MgO(100)-surface: diffraction peak intensities and bound states from first principles, 2011, in preparation
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Scattering of Helium on MgO(100)-surface: Diffraction Peak Intensities and Bound States from First Principles
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Martinez-Casado, R.1
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Mallia, G.3
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85
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Handa, Y.P.8
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88
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78651089544
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C. Gatti and Macchi, Springer, Berlin
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C. Pisani, R. Dovesi, A. Erba and P. Giannozzi, in Modern Charge Density Analysis, ed., C. Gatti, and, P. Macchi, Springer, Berlin, 2011
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Modern Charge Density Analysis
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Erba, A.3
Giannozzi, P.4
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89
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85102989523
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John Wiley and Sons, Chichester, UK
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T. Helgaker, P. Jørgensen and J. Olsen, Molecular Electronic Structure Theory, John Wiley and Sons, Chichester, UK, 2000
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Molecular Electronic Structure Theory
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Helgaker, T.1
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Olsen, J.3
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