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Andrew M. Teale
Andrew M. Teale
Verified email at nottingham.ac.uk - Homepage
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Year
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
11772014
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
1472013
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
1232008
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
1072010
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
862009
Exchange representations in Kohn–Sham NMR shielding calculations
AM Teale, DJ Tozer
Chemical physics letters 383 (1-2), 109-114, 2004
662004
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
652014
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
632015
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
592014
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
572009
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
562012
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
502013
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
492011
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
492008
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
462015
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
462013
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
442016
Modeling the adiabatic connection in
MJG Peach, AM Teale, DJ Tozer
The Journal of chemical physics 126 (24), 244104, 2007
442007
Alternative separation of exchange and correlation energies in multi-configuration range-separated density-functional theory
A Stoyanova, AM Teale, J Toulouse, T Helgaker, E Fromager
The Journal of chemical physics 139 (13), 134113, 2013
432013
Range-dependent adiabatic connections
AM Teale, S Coriani, T Helgaker
The Journal of chemical physics 133 (16), 164112, 2010
432010
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