Browse by Authors and Editors
Number of items: 6.
Furness, James W. and Verbeke, Joachim and Tellgren, Erik I. and Stopkowicz, Stella and Ekström, Ulf and Helgaker, Trygve and Teale, Andrew M. (2015) Current density functional theory using meta-generalized gradient exchange-correlation functionals. Journal of Chemical Theory and Computation, 11 (9). pp. 4169-4181. ISSN 1549-9626
Kvaal, Simen and Ekström, Ulf and Teale, Andrew M. and Helgaker, Trygve (2014) Differentiable but exact formulation of density-functional theory. Journal of Chemical Physics, 140 (18). 18A518 /1-18A518/14. ISSN 1089-7690
Furness, James W. and Ekström, Ulf and Helgaker, Trygve and Teale, Andrew M. (2016) Electron localisation function in current-density-functional theory. Molecular Physics, 114 (7-8). pp. 1415-1422. ISSN 1362-3028
Tellgren, Erik I. and Teale, Andrew M. and Furness, James W. and Lange, K.K. and Ekström, Ulf and Helgaker, Trygve (2014) Non-perturbative calculation of molecular magnetic properties within current-density functional theory. Journal of Chemical Physics, 140 (3). 034101. ISSN 1089-7690
Aidas, Kestutis and Angeli, Celestino and Bak, Keld L. and Bakken, Vebjørn and Bast, Radovan and Boman, Linus and Christiansen, Ove and Cimiraglia, Renzo and Coriani, Sonia and Dahle, Pål and Dalskov, Erik K. and Ekström, Ulf and Enevoldsen, Thomas and Eriksen, Janus J. and Ettenhuber, Patrick and Fernández, Berta and Ferrighi, Lara and Fliegl, Heike and Frediani, Luca and Hald, Kasper and Halkier, Asger and Hättig, Christof and Heiberg, Hanne and Helgaker, Trygve and Hennum, Alf Christian and Hettema, Hinne and Hjertenaes, Eirik and Høst, Stinne and Høyvik, Ida-Marie and Iozzi, Maria Francesca and Jansík, Branislav and Jensen, Hans Jørgen Aa. and Jonsson, Dan and Jørgensen, Poul and Kauczor, Joanna and Kirpekar, Sheela and Kjaergaard, Thomas and Klopper, Wim and Knecht, Stefan and Kobayashi, Rika and Koch, Henrik and Kongsted, Jacob and Krapp, Andreas and Kristensen, Kasper and Ligabue, Andrea and Lutnaes, Ola B. and Melo, Juan I. and Mikkelsen, Kurt V. and Myhre, Rolf H. and Neiss, Christian and Nielsen, Christian B. and Norman, Patrick and Olsen, Jeppe and Olsen, Jógvan Magnus H. and Osted, Anders and Packer, Martin J. and Pawlowski, Filip and Pedersen, Thomas B. and Provasi, Patricio F. and Reine, Simen and Rinkevicius, Zilvinas and Ruden, Torgeir A. and Ruud, Kenneth and Rybkin, Vladimir V. and Sałek, Pawel and Samson, Claire C. M. and de Merás, Alfredo Sánchez and Saue, Trond and Sauer, Stephan P. A. and Schimmelpfennig, Bernd and Sneskov, Kristian and Steindal, Arnfinn H. and Sylvester-Hvid, Kristian O. and Taylor, Peter R. and Teale, Andrew M. and Tellgren, Erik I. and Tew, David P. and Thorvaldsen, Andreas J. and Thøgersen, Lea and Vahtras, Olav and Watson, Mark A. and Wilson, David J. D. and Ziolkowski, Marcin and Ågren, Hans (2013) The Dalton quantum chemistry program system. Wiley Interdisciplinary Reviews: Computational Molecular Science, 4 (3). pp. 269-284. ISSN 1759-0884
Reimann, Sarah and Ekström, Ulf and Stopkowicz, Stella and Teale, Andrew M. and Borgoo, Alex and Helgaker, Trygve (2015) The importance of current contributions to shielding constants in density-functional theory. Physical Chemistry Chemical Physics, 17 (28). pp. 18834-18842. ISSN 1463-9084