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Andrew M. Teale
Andrew M. Teale
Professor, University of Nottingham
Zweryfikowany adres z nottingham.ac.uk - Strona główna
Tytuł
Cytowane przez
Cytowane przez
Rok
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
13252014
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
1692013
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
1252008
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
1112010
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
872009
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
782014
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
762015
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
702022
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
702014
Exchange representations in Kohn–Sham NMR shielding calculations
AM Teale, DJ Tozer
Chemical physics letters 383 (1-2), 109-114, 2004
692004
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
652012
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
652009
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
532013
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
512011
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
512008
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
492016
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
492015
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
472013
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
452013
Comparing ab initio density-functional and wave function theories: The impact of correlation on the electronic density and the role of the correlation potential
I Grabowski, AM Teale, S Śmiga, RJ Bartlett
The Journal of chemical physics 135 (11), 114111, 2011
442011
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