Andrew M. Wibowo-Teale

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Trygve HelgakerUniversity of OsloVerified email at kjemi.uio.no
David J TozerDepartment of Chemistry, Durham UniversityVerified email at durham.ac.uk
Sonia CorianiDepartment of Chemistry, Technical University of DenmarkVerified email at kemi.dtu.dk
James W FurnessPrinciple Scientist, SchrodingerVerified email at schrodinger.com
Stella StopkowiczFachrichtung Chemie, Universität des SaarlandesVerified email at uni-saarland.de
Simen KvaalResearcher at the Hylleraas Centre for Quantum Molecular SciencesVerified email at kjemi.uio.no
Michael J G PeachLecturer in Chemistry, Lancaster UniversityVerified email at lancaster.ac.uk
Alex BorgooThe Centre for Theoretical and Computational Chemistry (CTCC)Verified email at kjemi.uio.no
Julien ToulouseLaboratoire de Chimie Théorique, Sorbonne Université & CNRS, IUF, Paris, FranceVerified email at lct.jussieu.fr
Thomas Bondo PedersenHylleraas Centre for Quantum Molecular Sciences, Dept. of Chemistry, University of OsloVerified email at kjemi.uio.no
Ireneusz GrabowskiFaculty of Physics, Astronomy and Informatics, Nicolaus Copernicus University (UMK), Torun, PolandVerified email at fizyka.umk.pl
Szymon ŚmigaNicolaus Copernicus UniversityVerified email at fizyka.umk.pl
Espen SagvoldenSINTEFVerified email at sintef.no
Paola Gori-GiorgiMicrosoft Research AI for ScienceVerified email at microsoft.com
Emmanuel FromagerUniversité de StrasbourgVerified email at unistra.fr
Stefan VuckovicDepartment of Chemistry, University of Fribourg, Fribourg, SwitzerlandVerified email at unifr.ch
Wim KlopperProfessor für Theoretische Chemie, Karlsruher Institut für TechnologieVerified email at kit.edu
Fabio Della SalaCNR-IMM and IITVerified email at le.imm.cnr.it
Eduardo FabianoCNR-IMM LecceVerified email at cnr.it
Jan ZemenVisiting Researcher, Imperial College LondonVerified email at imperial.ac.uk

Andrew M. Wibowo-Teale

Other namesAndrew M. Teale

Professor, University of Nottingham

Verified email at nottingham.ac.uk - Homepage

Computational and Theoretical Chemistry


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The Dalton quantum chemistry program system K Aidas, C Angeli, KL Bak, V Bakken, R Bast, L Boman, O Christiansen, ... Wiley Interdisciplinary Reviews: Computational Molecular Science 4 (3), 269-284, 2014	1466	2014
Benchmarking density-functional theory calculations of NMR shielding constants and spin–rotation constants using accurate coupled-cluster calculations AM Teale, OB Lutnæs, T Helgaker, DJ Tozer, J Gauss The Journal of chemical physics 138 (2), 024111, 2013	189	2013
DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science AM Teale, T Helgaker, A Savin, C Adamo, B Aradi, AV Arbuznikov, ... Physical Chemistry Chemical Physics 24 (47), 28700-28781, 2022	169	2022
Orbital energies and negative electron affinities from density functional theory: insight from the integer discontinuity AM Teale, F De Proft, DJ Tozer The Journal of chemical physics 129 (4), 044110, 2008	135	2008
Accurate calculation and modeling of the adiabatic connection in density functional theory AM Teale, S Coriani, T Helgaker The Journal of chemical physics 132 (16), 164115, 2010	117	2010
Current density functional theory using meta-generalized gradient exchange-correlation functionals JW Furness, J Verbeke, EI Tellgren, S Stopkowicz, U Ekström, ... Journal of chemical theory and computation 11 (9), 4169-4181, 2015	92	2015
Non-perturbative calculation of molecular magnetic properties within current-density functional theory EI Tellgren, AM Teale, JW Furness, KK Lange, U Ekström, T Helgaker The Journal of chemical physics 140 (3), 034101, 2014	92	2014
The calculation of adiabatic-connection curves from full configuration-interaction densities: Two-electron systems AM Teale, S Coriani, T Helgaker The Journal of chemical physics 130 (10), 104111, 2009	92	2009
Differentiable but exact formulation of density-functional theory S Kvaal, U Ekström, AM Teale, T Helgaker The Journal of chemical physics 140 (18), 18A518, 2014	75	2014
Choice of basic variables in current-density-functional theory EI Tellgren, S Kvaal, E Sagvolden, U Ekström, AM Teale, T Helgaker Physical Review A 86 (6), 062506, 2012	73	2012
Exchange representations in Kohn–Sham NMR shielding calculations AM Teale, DJ Tozer Chemical physics letters 383 (1-2), 109-114, 2004	71	2004
Benchmarking density-functional-theory calculations of rotational tensors and magnetizabilities using accurate coupled-cluster calculations OB Lutnæs, AM Teale, T Helgaker, DJ Tozer, K Ruud, J Gauss The Journal of chemical physics 131 (14), 144104, 2009	69	2009
Communication: Analytic gradients in the random-phase approximation J Rekkedal, S Coriani, MF Iozzi, AM Teale, T Helgaker, TB Pedersen The Journal of chemical physics 139 (8), 081101, 2013	59	2013
Exchange–correlation functionals via local interpolation along the adiabatic connection S Vuckovic, TJP Irons, A Savin, AM Teale, P Gori-Giorgi Journal of chemical theory and computation 12 (6), 2598-2610, 2016	57	2016
Maps of current density using density-functional methods A Soncini, AM Teale, T Helgaker, F De Proft, DJ Tozer The Journal of chemical physics 129 (7), 074101, 2008	56	2008
Fractional electron loss in approximate DFT and Hartree–Fock theory MJG Peach, AM Teale, T Helgaker, DJ Tozer Journal of chemical theory and computation 11 (11), 5262-5268, 2015	54	2015
Efficient calculation of molecular integrals over London atomic orbitals TJP Irons, J Zemen, AM Teale Journal of chemical theory and computation 13 (8), 3636-3649, 2017	53	2017
Spin flipping in ring-coupled-cluster-doubles theory W Klopper, AM Teale, S Coriani, TB Pedersen, T Helgaker Chemical Physics Letters 510 (1-3), 147-153, 2011	53	2011
Analyzing magnetically induced currents in molecular systems using current-density-functional theory TJP Irons, L Spence, G David, BT Speake, T Helgaker, AM Teale The Journal of Physical Chemistry A 124 (7), 1321-1333, 2020	48	2020
Analysis of double-hybrid density functionals along the adiabatic connection Y Cornaton, O Franck, AM Teale, E Fromager Molecular Physics 111 (9-11), 1275-1294, 2013	48	2013

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