List of works - Nanna Holmgaard List

Accuracy of Protein Embedding Potentials: An Analysis in Terms of Electrostatic Potentials

scientific article published on 01 April 2015

An averaged polarizable potential for multiscale modeling in phospholipid membranes.

scientific article published on 3 February 2017

Averaged Solvent Embedding Potential Parameters for Multiscale Modeling of Molecular Properties

scientific article published on 14 March 2016

Benchmarking two-photon absorption cross sections: performance of CC2 and CAM-B3LYP.

scientific article published in July 2015

Beyond the electric-dipole approximation in simulations of x-ray absorption spectroscopy: Lessons from relativistic theory

scientific article published on 01 May 2020

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

scientific article published on 01 June 2020

Dehydroergosterol as an Analogue for Cholesterol: Why It Mimics Cholesterol So Well—or Does It?

Embedding beyond electrostatics-The role of wave function confinement.

scientific article

Excited states in large molecular systems through polarizable embedding.

scientific article published on 15 July 2016

Harmonic Infrared and Raman Spectra in Molecular Environments Using the Polarizable Embedding Model

scientific article published on 19 May 2021

How Far Does a Receptor Influence Vibrational Properties of an Odorant?

scientific article

Identifying the Hamiltonian structure in linear response theory

scientific article published in June 2014

Lanczos-driven coupled-cluster damped linear response theory for molecules in polarizable environments

scientific article published on December 2014

Molecular quantum mechanical gradients within the polarizable embedding approach—Application to the internal vibrational Stark shift of acetophenone

scientific article published on 01 January 2015

Molecular-Level Insight into the Spectral Tuning Mechanism of the DsRed Chromophore

scientific article published on 16 November 2012

Open-ended response theory with polarizable embedding: multiphoton absorption in biomolecular systems.

scientific article

Toward Reliable Prediction of the Energy Ladder in Multichromophoric Systems: A Benchmark Study on the FMO Light-Harvesting Complex

scientific article published on 3 October 2013

List of works by Nanna Holmgaard List

Accuracy of Protein Embedding Potentials: An Analysis in Terms of Electrostatic Potentials

An averaged polarizable potential for multiscale modeling in phospholipid membranes.

Averaged Solvent Embedding Potential Parameters for Multiscale Modeling of Molecular Properties

Benchmarking two-photon absorption cross sections: performance of CC2 and CAM-B3LYP.

Beyond the electric-dipole approximation in simulations of x-ray absorption spectroscopy: Lessons from relativistic theory

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

Dehydroergosterol as an Analogue for Cholesterol: Why It Mimics Cholesterol So Well—or Does It?

Embedding beyond electrostatics-The role of wave function confinement.

Excited states in large molecular systems through polarizable embedding.

Harmonic Infrared and Raman Spectra in Molecular Environments Using the Polarizable Embedding Model

How Far Does a Receptor Influence Vibrational Properties of an Odorant?

Identifying the Hamiltonian structure in linear response theory

Lanczos-driven coupled-cluster damped linear response theory for molecules in polarizable environments

Molecular quantum mechanical gradients within the polarizable embedding approach—Application to the internal vibrational Stark shift of acetophenone

Molecular-Level Insight into the Spectral Tuning Mechanism of the DsRed Chromophore

Open-ended response theory with polarizable embedding: multiphoton absorption in biomolecular systems.

Toward Reliable Prediction of the Energy Ladder in Multichromophoric Systems: A Benchmark Study on the FMO Light-Harvesting Complex