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Alf C. Hennum
Researcher at Norwegian Defence Research Establishment
Publications - 9
Citations - 1379
Alf C. Hennum is an academic researcher from Norwegian Defence Research Establishment. The author has contributed to research in topics: Density functional theory & Gaussian. The author has an hindex of 6, co-authored 8 publications receiving 1193 citations. Previous affiliations of Alf C. Hennum include Utrecht University & University of Oslo.
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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
An ab initio two-component relativistic method including spin- orbit coupling using the regular approximation
TL;DR: In this article, the authors present the implementation of the two-component scaled zeroth-order regular approximation (ZORA) method in the molecular electronic structure package GAMESS-UK.
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Parity-violating interaction in H2O2 calculated from density-functional theory
TL;DR: In this article, the parity-violating interactions have been implemented within the framework of nonrelativistic density-functional theory, and different exchange-correlation functionals have been tested for H2O2 and compared with Hartree-Fock and complete-active-space multiconfigurational self-consistent field calculations.
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An improved ab initio relativistic zeroth-order regular approximation correct to order 1/c2
TL;DR: In this article, it was shown that previous ZORA/IORA implementations were not correct to order 1/c2, but contained imperfections leading to fictitious self-interactions.
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Direct perturbation theory of magnetic properties and relativistic corrections for the point nuclear and Gaussian nuclear models
TL;DR: In this article, a direct perturbation theory of magnetic properties and relativistic corrections is developed and implemented for point-charge and finite nuclei, where perturbed small components are regularized by projecting them onto an auxiliary small-component basis of Gaussian functions.