An improved static corrugation model

• 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
• 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
• 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
• Accurate description of the quantum dynamical surface temperature effects on the dissociative chemisorption of H2 from Cu(111)

  2022 The Journal of Chemical Physics article Engineering Surface Chemistry and Catalysis Open access

  9

  citations
• Stopping molecular rotation using coherent ultra-low-energy magnetic manipulations

  2022 Nature Communications article Physics and Astronomy Cold Atom Physics and Bose-Einstein Condensates Open access

  19

  citations
• Performance of Made Simple Meta-GGA Functionals with rVV10 Nonlocal Correlation for H 2 + Cu(111), D 2 + Ag(111), H 2 + Au(111), and D 2 + Pt(111)

  2021 The Journal of Physical Chemistry C article Physics and Astronomy Advanced Chemical Physics Studies Open access

  23

  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
• Beyond the static corrugation model: Dynamic surfaces with the embedded atom method

  2021 The Journal of Chemical Physics article Chemistry Advanced Physical and Chemical Molecular Interactions 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
• Designing new SRP density functionals including non-local vdW-DF2 correlation for H 2 + Cu(111) and their transferability to H 2 + Ag(111), Au(111) and Pt(111)

  2020 Physical Chemistry Chemical Physics article Physics and Astronomy Advanced Chemical Physics Studies Open access

  18

  citations

13 results