Kurt V. Mikkelsen

The <scp>D</scp>alton quantum chemistry program system

Kęstutis Aidas, Celestino Angeli, Keld L. Bak et al. · Wiley Interdisciplinary Reviews Computational Molecular Science · 2013 · 1.5K citations · Full text

Natural Sciences, Chemistry, Physics +17

Investigation of the temperature dependence of dielectric relaxation in liquid water by THz reflection spectroscopy and molecular dynamics simulation

Cecilie Ro nne, Lars Thrane, Per‐Olof Åstrand et al. · The Journal of Chemical Physics · 1997 · 575 citations

Natural Sciences, Biophysics, Physics +17

On the accurate calculation of polarizabilities and second hyperpolarizabilities of polyacetylene oligomer chains using the CAM-B3LYP density functional

Peter A. Limacher, Kurt V. Mikkelsen, Hans Peter Lüthi · The Journal of Chemical Physics · 2009 · 287 citations

Natural Sciences, Chemistry, Physics +17

Assessment of Density Functional Theory in Predicting Structures and Free Energies of Reaction of Atmospheric Prenucleation Clusters

Jonas Elm, Merete Bilde, Kurt V. Mikkelsen · Journal of Chemical Theory and Computation · 2012 · 210 citations

Natural Sciences, Chemistry, Computational Chemistry +13

A multiconfigurational self-consistent reaction-field method

Kurt V. Mikkelsen, Hans Ågren, Hans Jørgen Aa. Jensen et al. · The Journal of Chemical Physics · 1988 · 202 citations

Natural Sciences, Chemistry, Physics +15