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List of works by Erik Donovan Hedegård

Dalton Project: A Python platform for molecular- and electronic-structure simulations of complex systems

scientific article published on 01 June 2020

Erratum: "Density matrix renormalization group with efficient dynamical electron correlation through range separation" [J. Chem. Phys. 142, 224108 (2015)]

scientific article published on 01 April 2020

Exploration of H2 binding to the [NiFe]-hydrogenase active site with multiconfigurational density functional theory.

scientific article

Investigating the influence of relativistic effects on absorption spectra for platinum complexes with light-activated activity against cancer cells

scientific article published on 19 November 2020

Mechanism of hydrogen peroxide formation by lytic polysaccharide monooxygenase.

scientific article

Molecular mechanism of lytic polysaccharide monooxygenases.

scientific article

Multiconfigurational short-range density-functional theory for open-shell systems

scientific article published on 7 June 2018

Multiscale Modelling of Lytic Polysaccharide Monooxygenases

scientific article published on 13 February 2017

Polarizable Embedding Complex Polarization Propagator in Four- and Two-Component Frameworks

scientific article published on 13 May 2022

Relativistic Polarizable Embedding

scientific article published on 11 May 2017

The DIRAC code for relativistic molecular calculations

scientific article published on 01 May 2020

Triplet excitation energies from multiconfigurational short-range density-functional theory response calculations

scientific article published on 01 September 2019

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