Roothaan-Hartree-Fock atomic wavefunctions

• Short-range solvent-solvent and ion-solvent correlations at metal-electrolyte interfaces: Parametrization and benchmarking

  2026 Physical Review Applied article Physics and Astronomy Advanced Chemical Physics Studies Open access

  1

  citations
• Bond Dissociation Energies, Proton, Hydride, Electron Affinities, and Ionization Potentials of C1 Hydrocarbon Ions

  2025 The Journal of Physical Chemistry A article Physics and Astronomy Advanced Chemical Physics Studies

  0

  citations
• Scattering makes a difference in circular dichroic angle-resolved photoemission

  2025 Physical review. B./Physical review. B article Materials Science Electron and X-Ray Spectroscopy Techniques Open access

  4

  citations
• Refinement of X-ray and electron diffraction crystal structures using analytical Fourier transforms of Slater-type atomic wavefunctions in Olex2

  2024 Journal of Applied Crystallography article Materials Science X-ray Diffraction in Crystallography Open access

  8

  citations
• Displacement parameters from density-functional theory and their validation in the experimental charge density of tartaric acid

  2020 CrystEngComm article Chemistry Crystallography and molecular interactions

  11

  citations
• Magneto-optical study of the zero-field splitting in a mononuclear tetrahedrally coordinated Co(II) compound with a mixed ligand surrounding

  2020 Polyhedron article Materials Science Magnetism in coordination complexes Open access

  4

  citations

6 results