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Welcome to the Teale Group webpage. Here you will find information about our research interests and supporting material for taught courses.

Our research is centred around density functional theory (DFT), the most widely used electronic structure method in chemistry. We have a particular interest in the link between ab initio and DFT methods, aiming towards using the high accuracy of the former to directly guide the construction of improved approximations in the latter.

Other research interests include the optimized effective potential method for orbital dependent DFT functionals, the calculation of magnetic response properties, the implementation and development of current-density-functional methods, the description of weak interactions in DFT and conceptual DFT.

See information about our research and publications at ResearcherID, ResearchGate and ORCiD
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News


Apr 20th 2016:
Our latest paper “Exchange-correlation functionals via local interpolation along the adiabatic connection” has been selected as an ACS Editors choice, get it open access from JCTC!

Apr 15th 2016:
New paper: “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. ASAP article, doi:10.1021/acs.jctc.6b00177

Mar 29th 2016:
Invited Talk accepted, catch us at the Workshop on Magnetically Induced Currents in Molecules (MAGIC2016), Salerno, Italy, September 5th - 9th 2016

Mar 15th 2016:
Invited Talk accepted , catch us at the EMN Meeting on Computation and Theory 2016, Las Vegas, NV USA, October 10th - 14th 2016

Feb 23rd 2016:
Invited Talk accepted, catch us at the ISTCP IX 2016 Conference, July 17-22, 2016, Grand Forks, ND - USA

Jan 13th 2016: New paper: "Electron localisation function in current-density-functional theory" J. W. Furness, U. Ekstrom, T. Helgaker and A. M. Teale, Mol. Phys. 114, 1415 (2016)

Jan 11th 2016:
Welcome to Jan Zemen, joining the group as a Postdoctoral Researcher to work on current density-functional theory for the study of molecules in strong magnetic fields.

More news


Recent Publications

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. ASAP article, doi:10.1021/acs.jctc.6b00177

"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)

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)

See all publications
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