Solution of the Schrödinger equation by a spectral method

• Impact of Surface Modes on D 2 Scattering from Cu(111): A Time-Dependent Effective Hartree Potential Approach

  2026 The Journal of Physical Chemistry C article Physics and Astronomy Surface and Thin Film Phenomena

  0

  citations
• Classical dynamics in a quantum spirit: Refining semi-classical corrections for the scattering of H2 on W(100)

  2025 The Journal of Chemical Physics article Physics and Astronomy Advanced Chemical Physics Studies Open access

  3

  citations
• Reactive scattering of H2 on Cu(111) at 925 K: Effective Hartree potential vs sudden approximation

  2024 The Journal of Chemical Physics article Physics and Astronomy Advanced Chemical Physics Studies Open access

  3

  citations
• On the quantum dynamical treatment of surface vibrational modes for reactive scattering of H2 from Cu(111) at 925 K

  2024 The Journal of Chemical Physics article Physics and Astronomy Advanced Chemical Physics Studies Open access

  5

  citations
• Simulating Highly Activated Sticking of H2 on Al(110): Quantum versus Quasi-Classical Dynamics

  2023 The Journal of Physical Chemistry C article Physics and Astronomy Advanced Chemical Physics Studies Open access

  6

  citations
• The quantum dynamics of H2 on Cu(111) at a surface temperature of 925 K: Comparing state-of-the-art theory to state-of-the-art experiments 2

  2022 The Journal of Chemical Physics article Physics and Astronomy Advanced Chemical Physics Studies Open access

  11

  citations
• Effect of surface temperature on quantum dynamics of D2 on Cu(111) using a chemically accurate potential energy surface

  2022 The Journal of Chemical Physics article Physics and Astronomy Advanced Chemical Physics Studies Open access

  7

  citations
• The quantum dynamics of H2 on Cu(111) at a surface temperature of 925 K: Comparing state-of-the-art theory to state-of-the-art experiments

  2022 The Journal of Chemical Physics article Chemistry Advanced Physical and Chemical Molecular Interactions

  12

  citations
• Effect of surface temperature on quantum dynamics of H2 on Cu(111) using a chemically accurate potential energy surface

  2021 The Journal of Chemical Physics article Engineering Surface Chemistry and Catalysis Open access

  14

  citations
• Computational approaches to dissociative chemisorption on metals: towards chemical accuracy

  2021 Physical Chemistry Chemical Physics article Physics and Astronomy Advanced Chemical Physics Studies Open access

  96

  citations

10 results