T
Thomas Kjærgaard
Researcher at Aarhus University Hospital
Publications - 55
Citations - 2699
Thomas Kjærgaard is an academic researcher from Aarhus University Hospital. The author has contributed to research in topics: Coupled cluster & Møller–Plesset perturbation theory. The author has an hindex of 23, co-authored 52 publications receiving 2379 citations. Previous affiliations of Thomas Kjærgaard include University of Oslo & Aarhus University.
Papers
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An Atomic-Orbital-Based Lagrangian Approach for Calculating Geometric Gradients of Linear Response Properties
TL;DR: In this article, a Lagrangian approach for the calculation of molecular response properties is presented, which can be expressed as geometric gradients of a generic linear response function, its poles, and its response properties.
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Ab initio calculation of magnetic circular dichroism
TL;DR: In this article, the authors discuss the ab initio calculation of all terms contributing to a magnetic circular dichroism (MCD) spectrum and give an overview of the most recent methods that have been introduced for calculating these different contributions.
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Can the Ni classification of vessels predict neoplasia? A systematic review and meta-analysis
Camilla Slot Mehlum,Tine Rosenberg,Anne-Kirstine Dyrvig,Aagot Moeller Groentved,Thomas Kjærgaard,Christian Godballe +5 more
TL;DR: Evaluated the ability of the Ni classification to predict laryngeal or hypopharygeal neoplasia and investigated if a changed cutoff value would support the recent European Laryngological Society (ELS) proposal of perpendicular vascular changes as indicative ofNeoplasia.
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A perspective on the localizability of Hartree–Fock orbitals
TL;DR: In this paper, the authors discuss the limitations for localizability of Hartree-Fock (HF) density matrices in terms of restrictions posed by the delocalized character of the underlying density matrix for the molecular system and by the orthogonality constraint on the molecular orbitals.
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Laryngeal precursor lesions: Interrater and intrarater reliability of histopathological assessment
Camilla Slot Mehlum,Stine Rosenkilde Larsen,Katalin Kiss,Aagot Moeller Groentved,Thomas Kjærgaard,Sören Möller,Christian Godballe +6 more
TL;DR: The objectives were to compare the interrater agreement of the WHOC 2017 with that of theWHOC 2005 and to test the intra‐rater Agreement of the WhOC 2005.