Erik Donovan Hedegård, Prof. Dr.
Affiliations: | Department of Physics, Chemistry and Pharmacy | Lund University, Lund, Skåne län, Sweden |
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"Erik Hedegård"
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Publications
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| Larsson ED, Reinholdt P, Kongsted J, et al. (2025) Exact Two-Component Relativistic Polarizable Density Embedding. Journal of Chemical Theory and Computation. 21: 4447-4457 |
| Jørgensen FK, Kjellgren ER, Jensen HJA, et al. (2025) Multiconfigurational short-range on-top pair-density functional theory. The Journal of Chemical Physics. 162 |
| Jørgensen FK, Delcey MG, Hedegård ED. (2024) Perspective: multi-configurational methods in bio-inorganic chemistry. Physical Chemistry Chemical Physics : Pccp |
| Larsson ED, Jørgensen FK, Reinholdt P, et al. (2024) Simulating X-ray Absorption Spectroscopy in Challenging Environments: Methodological Insights from Water-Solvated Ammonia and Ammonium Systems. Journal of Chemical Theory and Computation. 20: 3406-3412 |
| Jansen M, Reinholdt P, Hedegård ED, et al. (2023) Theoretical and Numerical Comparison of Quantum- and Classical Embedding Models for Optical Spectra. The Journal of Physical Chemistry. A. 127: 5689-5703 |
| Creutzberg J, Hedegård ED. (2023) A method to capture the large relativistic and solvent effects on the UV-vis spectra of photo-activated metal complexes. Physical Chemistry Chemical Physics : Pccp |
| Jørgensen FK, Reinholdt P, Hedegård ED, et al. (2022) Nuclear Magnetic Shielding Constants with the Polarizable Density Embedding Model. Journal of Chemical Theory and Computation |
| Saue T, Bast R, Gomes ASP, et al. (2020) The DIRAC code for relativistic molecular calculations. The Journal of Chemical Physics. 152: 204104 |
| Hedegård ED, Toulouse J, Jensen HJA. (2018) Multiconfigurational short-range density-functional theory for open-shell systems. The Journal of Chemical Physics. 148: 214103 |
| Dong G, Ryde U, Aa Jensen HJ, et al. (2018) Exploration of H2 binding to the [NiFe]-hydrogenase active site with multiconfigurational density functional theory. Physical Chemistry Chemical Physics : Pccp. 20: 794-801 |