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2017

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"Magnetic-Field Density-Functional Theory (BDFT): Lessons from the Adiabatic Connection"
S. Reimann, A. Borgoo, E. I. Tellgren, A. M. Teale and T. Helgaker, J. Chem. Theory Comput. ASAP article, doi: 10.1021/acs.jctc.7b00295

"Efficient Calculation of Molecular Integrals over London Atomic Orbitals"
T. J. P. Irons, J. Zemen and A. M. Teale, J. Chem. Theory Comput. 13, 2598 (2017)

Interpolated energy densities, correlation indicators and lower bounds from approximations to the strong coupling limit of DFT
S. Vuckovic, T. J. P. Irons, L. O. Wagner, A. M. Teale and P. Gori-Giorgi, Phys. Chem. Chem. Phys. 19, 6169 (2017)

2016

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Exchange-correlation functionals via local interpolation along the adiabatic connection
S. Vuckovic, T. J. P. Irons, A. Savin, A. M. Teale and P. Gori-Giorgi, J. Chem. Theory Comput. 12, 2598 (2016)

"Electron localisation function in current-density-functional theory"
J. W. Furness, U. Ekstrom, T. Hegaker and A. M. Teale, Mol. Phys. 114, 1415 (2016)

The Coupling Constant Averaged Exchange--Correlation Energy Density
T. J. P. Irons and A. M. Teale, Mol. Phys. 114, 484 (2016)

Alternative Representations of the Correlation Energy in Density-Functional Theory: A Kinetic-Energy Based Adiabatic Connection
A. M. Teale, T. Helgaker, A. Savin, J. Chin. Chem. Soc. 63, 121 (2016)



2015

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"Fractional Electron Loss in Approximate DFT and Hartree−Fock Theory"
M. J. G. Peach, A. M. Teale, T. Helgaker and D. J. Tozer, J. Chem. Theory Comput. 11, 5262 (2015)

Current Density-Functional Theory using meta-Generalized Gradient Exchange-Correlation Functionals”,
J. W. Furness, J. Verbeke, E. I. Tellgren, Stella Stopkowicz, U. Ekström, T. Helgaker and A. M. Teale, J. Chem. Theory Comput. 11, 4169 (2015)

The importance of current contributions to shielding constants in density-functional theory
S. Reimann, U. Ekström, S. Stopkowicz, A. M. Teale, A. Borgoo, T. Helgaker, Phys. Chem. Chem. Phys. 17, 18834 (2015)

Calculating excitation energies by extrapolation along adiabatic connections”,
E. Rebolini, J. Toulouse, A. M. Teale, T. Helgaker and A. Savin, Phys. Rev. A 91, 032519 (2015)

Molecular Properties in the Tamm-Dancoff approximation: Indirect nuclear spin-spin coupling constants”, C. Y. Cheng, M. S. Ryley, M. J. G. Peach, D. J. Tozer, T. Helgaker and A. M. Teale, Mol. Phys. 113, 1937 (2015)

Excited states from range-separated density-functional perturbation theory
E. Rebolini, J. Toulouse, A. M. Teale, T. Helgaker and A. Savin, Mol. Phys. 113, 1740 (2015)


2014

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New CHARMM force field parameters for dehydrated amino acid residues, the key to lantibiotic molecular dynamics simulations
E. R. Turpin, S. Mulholland, A. M. Teale, B. B. Bonev and J. D. Hirst, RSC Advances 4, 48621 (2014)

"The Dalton quantum chemistry program system"
K. Aidas, C. Angeli, K. L. Bak, V. Bakken, R. Bast, L. Boman, O. Christiansen, R. Cimiraglia, S. Coriani, P. Dahle, E. K. Dalskov, U. Ekström, T. Enevoldsen, J. J. Eriksen, P. Ettenhuber, B. Fernández, L. Ferrighi, H. Fliegl, L. Frediani, K. Hald, A. Halkier, C. Hättig, H. Heiberg, T. Helgaker, A. C. Hennum, H. Hettema, E. Hjertenæs, S. Høst, I.-M. Høyvik, M. F. Iozzi, B. Jansík, H. J. Aa. Jensen, D. Jonsson, P. Jørgensen, J. Kauczor, S. Kirpekar, T. Kjærgaard, W. Klopper, S. Knecht, R. Kobayashi, H. Koch, J. Kongsted, A. Krapp, K. Kristensen, A. Ligabue, O. B. Lutnæs, J. I. Melo, K. V. Mikkelsen, R. H. Myhre, C. Neiss, C. B. Nielsen, P. Norman, J. Olsen, J. M. H. Olsen, A. Osted, M. J. Packer, F. Pawlowski, T. B. Pedersen, P. F. Provasi, S. Reine, Z. Rinkevicius, T. A. Ruden, K. Ruud, V. V. Rybkin, P. Sałek, C. C. M. Samson, A. Sánchez de Merás, T. Saue, S. P. A. Sauer, B. Schimmelpfennig, K. Sneskov, A. H. Steindal, K. O. Sylvester-Hvid, P. R. Taylor, A. M. Teale, E. I. Tellgren, D. P. Tew, A. J. Thorvaldsen, L. Thøgersen, O. Vahtras, M. A. Watson, D. J. D. Wilson, M. Ziolkowski, and Hans Ågren, WIREs Comput. Mol. Sci. 4, 269 (2014)

Orbital-dependent second-order scaled-opposite-spin correlation functionals in the optimized effective potential method
I. Grabowski, E. Fabiano, A. M. Teale, S. Smiga, A. Buksztel and F. Della Sala, J. Chem. Phys. 141, 024113 (2014)

"Revisiting the density scaling of the non-interacting kinetic energy"
A. Borgoo, A. M. Teale and D. J. Tozer, Phys. Chem. Chem. Phys. 16, 14578 (2014)

"Atomic electron affinities and the role of symmetry between electron addition and subtraction in a corrected Koopmans approach"
A. M. Teale, F. De Proft, P. Geerlings and D. J. Tozer, Phys. Chem. Chem. Phys. 16, 14420 (2014)

"A density difference based analysis of orbital-dependent exchange-correlation functionals"
I. Grabowski, A. M. Teale, E. Fabiano, S. Smiga, A. Buksztel and F. Della Sala, Mol. Phys. 112, 700 (2014)

"Differentiable but exact formulation of density-functional theory"
S. Kvaal, U. Ekstrom, A. M. Teale and T. Helgaker, J. Chem. Phys. 140, 18A518 (2014)

"Non-perturbative calculation of molecular magnetic properties within current-density-functional theory"
E. I. Tellgren, A. M. Teale, J. W. Furness, K. K. Lange, U. Ekstrom and T. Helgaker, J. Chem. Phys. 140, 034101 (2014)



2013

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"Alternative separation of exchange and correlation energies in multi-configuration range-separated density-functional theory"
A. Stoyanova, A. M. Teale, J. Toulouse, T. Helgaker and E. Fromager, J. Chem. Phys. 139, 134113 (2013)

"Communication: Analytic gradients in the random-phase approximation"
J. Rekkedal, S. Coriani, M. F. Iozzi, A. M. Teale, T. Helgaker and T. B. Pedersen, J. Chem. Phys. 139, 081101 (2013)

"Foreword"
K. Ruud and A. M. Teale, Mol. Phys. 111, 1061 (2013)

"Analysis of double-hybrid density functionals along the adiabatic connection"
Y. Cornaton, O. Franck, A. M. Teale and E. Fromager, Mol. Phys. 111, 1275 (2013)

"High accuracy ab initio studies of electron-densities for the ground state of Be-like atomic systems"
J. Komasa, R. Slupski, K. Jankowski, J. Wasilewski, A. M. Teale, J. Chem. Phys. 138, 164306 (2013)

"Benchmarking density-functional theory calculations of NMR shielding constants and spin-rotation constants using accurate coupled-cluster calculations"
A. M. Teale, O. B. Lutnæs T. Helgaker, D. J. Tozer and J. Gauss, J. Chem. Phys. 138, 024111 (2013)


2012

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"Choice of basic variables in current-density-functional theory"
E. I. Tellgren, S. Kvaal, E. Sagvolden, U. Ekström, A. M. Teale and T. Helgaker, Phys. Rev. A 86, 062506 (2012)

"Range-dependent Adiabatic Connections"
A. M. Teale, S. Coriani and T. Helgaker, AIP Conf. Proc. 1504, 92 (2012)

Effective homogeneity of the exchange--correlation and non-interacting kinetic energy functionals
A. Borgoo, A. M. Teale and D. J. Tozer, J. Chem. Phys. 136, 034101 (2012)


2011

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Dispersion interactions in density-functional theory: an adiabatic connection analysis
M. D. Stromsheim, N. Kumar, S. Coriani, E. Sagvolden, A. M. Teale and T. Helgaker, J. Chem. Phys. 135, 194109 (2011)

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, A. M. Teale, S. Śmiga, and R. Bartlett, J. Chem. Phys. 135, 114111 (2011)

Spin flipping in ring-coupled-cluster-doubles theory
W. Klopper, A. M. Teale, S. Coriani, T. B. Pedersen and T. Helgaker, Chem. Phys. Lett. 510, 147 (2011)


2010

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Range-dependent adiabatic connections
A. M. Teale, S. Coriani, T. Helgaker, J. Chem. Phys. 133, 164122 (2010)

Shielding constants and chemical shifts in DFT: Influence of optimized effective potential and Coulomb-attenuation
M. J. G. Peach, J. A. Kattirtzi, A. M. Teale and D. J. Tozer, J. Phys. Chem. A 114, 7179 (2010)

Accurate calculation and modelling of the adiabatic connection in density functional theory
A. M. Teale, S. Coriani, T. Helgaker, J. Chem. Phys. 132, 164115 (2010)


2009

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Range-dependent Adiabatic Connections
A. M. Teale, S. Coriani and T. Helgaker, Proceedings of the `International Conference on
Computational Methods in Sciences and Engineering (ICCMSE 2009)
, September 29th -
October 4th 2009, Rhodes, Greece', in the American Institute of Physics
Conference Proceedings
.

Benchmarking density-functional-theory calculations of rotational g tensors and magnetizabilities using accurate coupled-cluster calculations
O. B. Lutnæs, A. M. Teale, T. Helgaker, D. J. Tozer, K. Ruud and J. Gauss, J. Chem. Phys. 131, 144104 (2009)

The calculation of adiabatic-connection curves from full conguration-interaction densities: Two-electron systems
A. M. Teale, S. Coriani, T. Helgaker, J. Chem. Phys. 130, 104111 (2009)


2008

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Maps of current-density using density-functional methods
A. Soncini, A. M. Teale, T. Helgaker, F. De Proft and D. J. Tozer, J. Chem. Phys. 129,
074101 (2008)

Adiabatic connection forms in density functional theory: H2 and the He iso-electronic series
M. J. G. Peach, A. M. Miller, A. M. Teale, and D. J. Tozer, J. Chem. Phys. 129, 064105
(2008)

Orbital energies and negative electron affinities from density functional theory: Insight from the integer discontinuity
A. M. Teale, F. De Proft and D. J. Tozer , J. Chem. Phys. 129, 044110 (2008)


2007

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Modeling the adiabatic connection in H2
M. J. G. Peach, A. M. Teale, and D. J. Tozer, J. Chem. Phys. 126, 244104 (2007)

Transition metal NMR chemical shifts from optimized effective potentials
A. M. Teale, A. J. Cohen and D. J. Tozer, J. Chem. Phys. 126, 074101 (2007)


2006

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The intramolecular beta-fluorine...ammonium interaction in 4- and 8-membered rings
N. E. J. Gooseman, D. O'Hagan, A. M. Z. Slawin, A. M. Teale, D. J. Tozer and R. J. Young,
Chem. Comm. 30, 3190 (2006)

Rotational g tensors calculated using hybrid exchange-correlation functionals with the optimized effective potential approach
O. B. Lutnæs, A. M. Teale, T. Helgaker and D. J. Tozer, J. Chem. Theo. Comp. 2, 827, (2006)


2005

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Exchange methods in Kohn-Sham theory
A. M. Teale and D. J. Tozer, Phys. Chem. Chem. Phys. 7, 2991, (2005)

Exchange methods in Kohn-Sham theory
A. M. Teale and D. J. Tozer, Proceedings of the `International Conference on Computational
Methods in Sciences and Engineering (ICCMSE 2005)
, October 21st-26th 2005, Corinth,
Greece', Advances in Computational Methods in Sciences and Engineering 2005, Vols 4A &
4B, p. 1258 (2005)

Ground- and excited-state diatomic bond lengths, vibrational levels, and potential-energy curves from conventional and localized Hartree-Fock-based density-functional theory
A. M. Teale and D. J. Tozer, J. Chem. Phys. 122, 034101 (2005)


2004

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Exchange representations in Kohn-Sham NMR shielding calculations
A. M. Teale and D. J. Tozer, Chem. Phys. Lett. 383, 109 (2004)

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