All Stories

  1. Using a pruned basis and a sparse collocation grid with more points than basis functions to do efficient and accurate MCTDH calculations with general potential energy surfaces

    Article • The Journal of Chemical Physics, June 2024, American Institute of Physics

    Tucker Carrington, Robert Wodraszka

  2. A rectangular collocation multi-configuration time-dependent Hartree (MCTDH) approach with time-independent points for calculations on general potential energy surfaces

    Article • The Journal of Chemical Physics, March 2021, American Institute of Physics

    Robert Wodraszka, Tucker Carrington

  3. Efficiently Transforming from Values of a Function on a Sparse Grid to Basis Coefficients

    Article • January 2021, Springer Science + Business Media

    Robert Wodraszka

  4. A collocation-based multi-configuration time-dependent Hartree method using mode combination and improved relaxation

    Article • The Journal of Chemical Physics, April 2020, American Institute of Physics

    Robert Wodraszka

  5. A pruned collocation-based multiconfiguration time-dependent Hartree approach using a Smolyak grid for solving the Schrödinger equation with a general potential energy surface

    Article • The Journal of Chemical Physics, April 2019, American Institute of Physics

    Tucker Carrington, Robert Wodraszka

  6. A new collocation-based multi-configuration time-dependent Hartree (MCTDH) approach for solving the Schrödinger equation with a general potential energy surface

    Article • The Journal of Chemical Physics, January 2018, American Institute of Physics

    Robert Wodraszka

  7. Systematically expanding nondirect product bases within the pruned multi-configuration time-dependent Hartree (MCTDH) method: A comparison with multi-layer MCTDH

    Article • The Journal of Chemical Physics, May 2017, American Institute of Physics

    Robert Wodraszka

  8. Using a pruned, nondirect product basis in conjunction with the multi-configuration time-dependent Hartree (MCTDH) method

    Article • The Journal of Chemical Physics, July 2016, American Institute of Physics

    Robert Wodraszka

  9. CH5+: Symmetry and the Entangled Rovibrational Quantum States of a Fluxional Molecule

    Article • The Journal of Physical Chemistry Letters, October 2015, American Chemical Society (ACS)

    Robert Wodraszka

  10. Iterative Diagonalization in the Multiconfigurational Time-Dependent Hartree Approach: Ro-vibrational Eigenstates

    Article • The Journal of Physical Chemistry A, April 2013, American Chemical Society (ACS)

    Robert Wodraszka

  11. Vibrational Dynamics of the CH4·F–Complex

    Article • The Journal of Physical Chemistry A, July 2012, American Chemical Society (ACS)

    Robert Wodraszka

  12. A multi-configurational time-dependent Hartree approach to the eigenstates of multi-well systems

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

    Robert Wodraszka