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
More filters
Journal ArticleDOI
The Dalton quantum chemistry program system
Kestutis Aidas,Celestino Angeli,Keld L. Bak,Vebjørn Bakken,Radovan Bast,Linus Boman,Ove Christiansen,Renzo Cimiraglia,Sonja Coriani,Pål Dahle,Erik K. Dalskov,Ulf Ekström,Thomas Enevoldsen,Janus J. Eriksen,Patrick Ettenhuber,Berta Fernández,Lara Ferrighi,Heike Fliegl,Luca Frediani,Kasper Hald,Asger Halkier,Christof Hättig,Hanne Heiberg,Trygve Helgaker,Alf C. Hennum,Hinne Hettema,Eirik Hjertenæs,Stine Høst,Ida-Marie Høyvik,Maria Francesca Iozzi,Brannislav Jansik,Hans-Jørgen Aa. Jensen,Dan Jonsson,Poul Jørgensen,Johanna Kauczor,Sheela Kirpekar,Thomas Kjærgaard,Wim Klopper,Stefan Knecht,Rika Kobayashi,Henrik Koch,Jacob Kongsted,Andreas Krapp,Kasper Kristensen,Andrea Ligabue,Ola B. Lutnæs,Juan Ignacio Melo,Kurt V. Mikkelsen,Rolf H. Myhre,Christian Neiss,Christian B. Nielsen,Patrick Norman,Jeppe Olsen,Jógvan Magnus Haugaard Olsen,Anders Osted,Martin J. Packer,Filip Pawłowski,Thomas Bondo Pedersen,Patricio Federico Provasi,Simen Reine,Zilvinas Rinkevicius,Torgeir A. Ruden,Kenneth Ruud,Vladimir V. Rybkin,Paweł Sałek,Claire C. M. Samson,Alfredo Sánchez de Merás,Trond Saue,Stephan P. A. Sauer,Bernd Schimmelpfennig,Kristian Sneskov,Arnfinn Hykkerud Steindal,Kristian O. Sylvester-Hvid,Peter R. Taylor,Andrew M. Teale,Erik I. Tellgren,David P. Tew,Andreas J. Thorvaldsen,Lea Thøgersen,Olav Vahtras,Mark A. Watson,David J. D. Wilson,Marcin Ziółkowski,Hans Ågren +83 more
TL;DR: Dalton is a powerful general‐purpose program system for the study of molecular electronic structure at the Hartree–Fock, Kohn–Sham, multiconfigurational self‐consistent‐field, Møller–Plesset, configuration‐interaction, and coupled‐cluster levels of theory.
Journal ArticleDOI
Linear scaling coupled cluster method with correlation energy based error control.
TL;DR: The determination of the orbital spaces for the small orbital fragments is black box in the sense that it does not depend on any user-provided molecular fragmentation, rather orbital spaces are carefully selected and extended during the calculation to give fragment energies of a specified precision.
Journal ArticleDOI
A Locality Analysis of the Divide-Expand-Consolidate Coupled Cluster Amplitude Equations.
TL;DR: The locality analysis shows that a CC calculation on a large molecular system may be carried out in terms of CC calculations on small orbital fragments of the total molecular system, where the sizes of the orbital fragment spaces are determined in a black box manner to ensure that the CC correlation energy is calculated to a preset energy threshold.
Journal ArticleDOI
Variational and robust density fitting of four-center two-electron integrals in local metrics
Simen Reine,Erik I. Tellgren,Andreas Krapp,Thomas Kjærgaard,Trygve Helgaker,Branislav Jansík,Stinne Høst,Paweł Sałek +7 more
TL;DR: This paper presents a robust variational density-fitting scheme that allows for solving the fitting equations in local metrics instead of the traditional Coulomb metric, as required for linear scaling.
Journal ArticleDOI
Does nasal obstruction mean that the nose is obstructed
TL;DR: The relationship between subjective nasal obstruction and the corresponding anatomic and physiological nasal parameters using acoustic rhinometry (AR) and peak nasal inspiratory flow (PNIF) is evaluated.