Nicolai Machholdt Høyer

11PUBLICATIONS
16CO-AUTHORS
Condensed matter modelling and density functional theoryNonlinear optics and spectroscopyTheoretical quantum chemistryMolecular imaging (incl. electron microscopy and neutron diffraction)Computational complexity and computability
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Publications (11)

|Oct 22, 2025
Modeling Structural and Optical Properties of 6,6,12-Graphyne Oligomer Fragments.

Andreas Erbs Hillers-Bendtsen, Frederik Ørsted Kjeldal, Nicolai Machholdt Høyer

|Apr 02, 2025
Local Bond-Stretch Coordinates for Anharmonic Vibrational Computations.

Sebastian Riis Thomsen, Nicolai Machholdt Høyer, Mads Greisen Højlund

|Nov 12, 2024
Cluster perturbation theory. X. A parallel implementation of Lagrangian perturbation series for the coupled cluster singles and doubles ground-state energy through fifth order.

Andreas Erbs Hillers-Bendtsen, Frederik Ørsted Kjeldal, Nicolai Machholdt Høyer

|Jan 06, 2024
Quasi-direct Quantum Molecular Dynamics: The Time-Dependent Adaptive Density-Guided Approach for Potential Energy Surface Construction.

Nicolai Machholdt Høyer, Ove Christiansen

|Apr 01, 2023
Indirect nuclear spin-spin couplings with third-order contributions added to the SOPPA method.

Javier Sanz Rodrigo, Andreas Erbs Hillers-Bendtsen, Frederik Ø Kjeldal

|Jul 15, 2022
Cluster perturbation theory. VI. Ground-state energy series using the Lagrangian.

Nicolai Machholdt Høyer, Frederik Ørsted Kjeldal, Andreas Erbs Hillers-Bendtsen

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Frequent Collaborators

9 joint publications

Kurt V Mikkelsen

8 joint publications

Andreas Erbs Hillers-Bendtsen

6 joint publications

Frederik Ørsted Kjeldal

4 joint publications

Jeppe Olsen