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Number of items at this level: 11.

Article

Loibl, Stefan and Schütz, Martin (2012) NMR shielding tensors for density fitted local second-order Møller-Plesset perturbation theory using gauge including atomic orbitals. The Journal of Chemical Physics.

Yang, Jun and Chan, Garnet Kin-Lic and Manby, Frederick R. and Schütz, Martin and Werner, Hans-Joachim (2012) The orbital-specific-virtual local coupled cluster singles and doubles method. The Journal of Chemical Physics.

Martinez-Casado, R. and Mallia, G. and Usvyat, D. and Maschio, L. and Casassa, S. and Schütz, Martin and Harrison, N. M. (2011) Periodic quantum mechanical simulation of the He–MgO(100) interaction potential. The Journal of Chemical Physics.

Werner, Hans-Joachim and Schütz, Martin (2011) An efficient local coupled cluster method for accurate thermochemistry of large systems. The Journal of Chemical Physics 135 (14), p. 144116.

Ursyvat, Denis and Civalleri, Bartolomeo and Maschio, Lorenzo and Dovesi, Roberto and Pisani, Cesari and Schütz, Martin (2011) Approaching the theoretical limit in periodic local MP2 calculations with atomic-orbital basis sets: The case of LiH. The Journal of Chemical Physics 134, p. 214105.

Lorenz, Marco and Usvyat, Denis and Schütz, Martin (2011) Local ab initio methods for calculating optical band gaps in periodic systems. I. Periodic density fitted local configuration interaction singles method for polymers. The Journal of Chemical Physics 134 (9), 094101.

Martinez-Casado, R. and Mallia, G. and Usvyat, D. and Maschio, L. and Casassa, S. and Schütz, Martin and Harrison, N. M. (2011) Periodic quantum mechanical simulation of the He-MgO(100) interaction potential. The Journal of Chemical Physics 134 (1), 014706.

Thesis of the University of Regensburg

Lorenz, Marco (2012) Density fitted local configuration interaction singles method for calculating optical band gaps in periodic systems. PhD, Universität Regensburg

Schemmel, Dominik (2010) Ab initio investigations on H bonded molecular clusters. PhD, Universität Regensburg

Kats, Danylo (2010) Excitation energies and properties of large molecules from ab-initio calculations. PhD, Universität Regensburg

Sadeghian, Keyarash (2009) Quantum chemical investigations on sensory photoreceptors in natural and artificial systems. PhD, Universität Regensburg

This list was generated on Thu Jul 24 12:44:36 2014 CEST.
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