All Stories

  1. Efficient and accurate treatment of weak pairs in local CCSD(T) calculations

    Article • The Journal of Chemical Physics, October 2013, American Institute of Physics

    Martin Schütz

  2. Local CC2 response method based on the Laplace transform: Orbital-relaxed first-order properties for excited states

    Article • The Journal of Chemical Physics, August 2013, American Institute of Physics

    Martin Schütz

  3. Conformational control of benzophenone-sensitized charge transfer in dinucleotides

    Article • Physical Chemistry Chemical Physics, January 2013, Royal Society of Chemistry

    Martin Schütz

  4. Local ab initio methods for calculating optical bandgaps in periodic systems. II. Periodic density fitted local configuration interaction singles method for solids

    Article • The Journal of Chemical Physics, November 2012, American Institute of Physics

    Martin Schütz

  5. NMR shielding tensors for density fitted local second-order Møller-Plesset perturbation theory using gauge including atomic orbitals

    Article • The Journal of Chemical Physics, August 2012, American Institute of Physics

    Martin Schütz

  6. The orbital-specific-virtual local coupled cluster singles and doubles method

    Article • The Journal of Chemical Physics, April 2012, American Institute of Physics

    Martin Schütz, Associate Professor Jun Yang

  7. Cryscor: a program for the post-Hartree–Fock treatment of periodic systems

    Article • Physical Chemistry Chemical Physics, January 2012, Royal Society of Chemistry

    Martin Schütz

  8. An efficient local coupled cluster method for accurate thermochemistry of large systems

    Article • The Journal of Chemical Physics, October 2011, American Institute of Physics

    Martin Schütz

  9. Approaching the theoretical limit in periodic local MP2 calculations with atomic-orbital basis sets: The case of LiH

    Article • The Journal of Chemical Physics, June 2011, American Institute of Physics

    Martin Schütz, Dr Bartolomeo Civalleri

  10. Periodic quantum mechanical simulation of the He–MgO(100) interaction potential

    Article • The Journal of Chemical Physics, January 2011, American Institute of Physics

    Martin Schütz

  11. Why BLUF photoreceptors with roseoflavincofactors lose their biological functionality

    Article • Physical Chemistry Chemical Physics, January 2011, Royal Society of Chemistry

    Martin Schütz

  12. He-atom scattering from MgO(100): calculating diffraction peak intensities with a semi ab initio potential

    Article • Physical Chemistry Chemical Physics, January 2011, Royal Society of Chemistry

    Martin Schütz

  13. On the physisorption of water on graphene: a CCSD(T) study

    Article • Physical Chemistry Chemical Physics, January 2011, Royal Society of Chemistry

    Martin Schütz

  14. A QM/MM study on the fast photocycle of blue light using flavin photoreceptors in their light-adapted/active form

    Article • Physical Chemistry Chemical Physics, January 2010, Royal Society of Chemistry

    Martin Schütz