Andrew Michael Teale

Image of Andrew Michael Teale
Norwegian version of this page
Room .
Username
Visiting address Sem Sælandsvei 26 Kjemibygningen 0371 OSLO
Postal address Postboks 1033 Blindern 0315 OSLO
Tags: Chemistry, Theoretical chemistry

Publications

  • Furness, James W.; Ekström, Ulf Egil; Helgaker, Trygve & Teale, Andrew Michael (2016). Electron localisation function in current-density-functional theory. Molecular Physics.  ISSN 0026-8976.  114(7-8), s 1415- 1422 . doi: 10.1080/00268976.2015.1133859
  • Teale, Andrew Michael; Helgaker, Trygve & Savin, Andreas (2016). Alternative Representations of the Correlation Energy in Density-Functional Theory: A Kinetic-Energy Based Adiabatic Connection. Journal of the Chinese Chemical Society (Taipei).  ISSN 0009-4536.  63(1), s 121- 128 . doi: 10.1002/jccs.201500132
  • Borgoo, Alex; Teale, Andrew Michael & Helgaker, Trygve (2015). Excitation energies from ensemble DFT. AIP Conference Proceedings.  ISSN 0094-243X.  1702:090049 . doi: 10.1063/1.4938857
  • Cheng, Chi Y.; Ryley, Matthew S.; Peach, Michael J.G.; Tozer, David J.; Helgaker, Trygve & Teale, Andrew Michael (2015). Molecular properties in the Tamm–Dancoff approximation: indirect nuclear spin–spin coupling constants. Molecular Physics.  ISSN 0026-8976.  113(13-14), s 1937- 1951 . doi: 10.1080/00268976.2015.1024182
  • Furness, James W.; Verbeke, Joachim; Tellgren, Erik; Stopkowicz, Stella; Ekström, Ulf Egil; Helgaker, Trygve & Teale, Andrew Michael (2015). Current density functional theory using meta-generalized gradient exchange-correlation functionals. Journal of Chemical Theory and Computation.  ISSN 1549-9618.  11(9), s 4169- 4181 . doi: 10.1021/acs.jctc.5b00535
  • Peach, Michael J. G.; Teale, Andrew Michael; Helgaker, Trygve & Tozer, David J. (2015). Fractional electron loss in approximate DFT and Hartree-Fock theory. Journal of Chemical Theory and Computation.  ISSN 1549-9618.  11(11), s 5262- 5268 . doi: 10.1021/acs.jctc.5b00804
  • Rebolini, Elisa; Toulouse, Julien; Teale, Andrew Michael; Helgaker, Trygve & Savin, A (2015). Calculating excitation energies by extrapolation along adiabatic connections. Physical Review A. Atomic, Molecular, and Optical Physics.  ISSN 1050-2947.  91 . doi: 10.1103/PhysRevA.91.032519 Full text in Research Archive.
  • Rebolini, Elisa; Toulouse, Julien; Teale, Andrew Michael; Helgaker, Trygve & Savin, Andreas (2015). Excited states from a range-separated density-functional perturbation theory. Molecular Physics.  ISSN 0026-8976.  113(13-14), s 1740- 1749 . doi: 10.1080/00268976.2015.1011248
  • Reimann, Sarah; Ekström, Ulf Egil; Stopkowicz, Stella; Teale, Andrew Michael; Borgoo, Alex & Helgaker, Trygve (2015). The importance of current contributions to shielding constants in density-functional theory. Physical Chemistry, Chemical Physics - PCCP.  ISSN 1463-9076.  17(28), s 18834- 18842 . doi: 10.1039/c5cp02682b
  • Borgoo, Alex; Teale, Andrew Michael & Tozer, David J. (2014). Revisiting the density scaling of the non-interacting kinetic energy. Physical Chemistry, Chemical Physics - PCCP.  ISSN 1463-9076.  16, s 14578- 14583 . doi: 10.1039/C4CP00170B
  • Grabowski, Ireneusz; Fabiano, Eduardo; Teale, Andrew Michael; Śmiga, Szymon; Buksztel, Adam & Sala, Fabio Della (2014). Orbital-dependent second-order scaled-opposite-spin correlation functionals in the optimized effective potential method. Journal of Chemical Physics.  ISSN 0021-9606.  141(2) . doi: 10.1063/1.4887097
  • Grabowski, Ireneusz; Teale, Andrew Michael; Fabiano, Eduardo; Smiga, Szymon; Buksztel, Adam & Sala, Fabio Della (2014). A density difference based analysis of orbital-dependent exchange-correlation functionals. Molecular Physics.  ISSN 0026-8976.  112(5-6), s 700- 710 . doi: 10.1080/00268976.2013.854424
  • Kvaal, Simen; Ekström, Ulf Egil; Teale, Andrew Michael & Helgaker, Trygve (2014). Differentiable but exact formulation of density-functional theory. Journal of Chemical Physics.  ISSN 0021-9606.  140(18) . doi: 10.1063/1.4867005
  • Rebolini, Elisa; Toulouse, Julien; Teale, Andrew Michael; Helgaker, Trygve & Savin, Andreas (2014). Excitation energies along a range-separated adiabatic connection. Journal of Chemical Physics.  ISSN 0021-9606.  141(4) . doi: 10.1063/1.4890652
  • Teale, Andrew Michael; DeProft, Frank; Geerlings, Paul & Tozer, David J. (2014). Atomic electron affinities and the role of symmetry between electron addition and subtraction in a corrected Koopmans approach. Physical Chemistry, Chemical Physics - PCCP.  ISSN 1463-9076.  16(28), s 14420- 14434 . doi: 10.1039/c3cp54528h
  • Tellgren, Erik; Teale, Andrew Michael; Furness, J.W.; Lange, Kai Kaarvann; Ekström, Ulf Egil & Helgaker, Trygve (2014). Non-perturbative calculation of molecular magnetic properties within current-density functional theory. Journal of Chemical Physics.  ISSN 0021-9606.  140(3) . doi: 10.1063/1.4861427
  • Turpin, Eleanor; Mulholland, Sam; Teale, Andrew Michael; Bonev, Boyan & Hirst, Jonathan (2014). New CHARMM force field parameters for dehydrated amino acid residues, the key to lantibiotic molecular dynamics simulations. RSC Advances.  ISSN 2046-2069.  4, s 48621- 48631 . doi: 10.1039/c4ra09897h
  • Cornaton, Yann; Franck, Odile; Teale, Andrew Michael & Fromager, Emmanuel (2013). Analysis of double-hybrid density functionals along the adiabatic connection. Molecular Physics.  ISSN 0026-8976.  111(9-11), s 1275- 1294 . doi: 10.1080/00268976.2013.783640
  • Komasa, Jacek; Slupski, R; Jankowski, K; Wasilewski, J & Teale, Andrew Michael (2013). High accuracy ab initio studies of electron-densities for the ground state of Be-like atomic systems. Journal of Chemical Physics.  ISSN 0021-9606.  138(16) . doi: 10.1063/1.4800766
  • Rekkedal, Johannes Andreas; Coriani, Sonia; Iozzi, Maria Francesca; Teale, Andrew Michael; Helgaker, Trygve & Pedersen, Thomas Bondo (2013). Communication: Analytic gradients in the random-phase approximation. Journal of Chemical Physics.  ISSN 0021-9606.  139(8) . doi: 10.1063/1.4819399
  • Stoyanova, Alexandrina; Teale, Andrew Michael; Toulouse, Julien; Helgaker, Trygve & Fromager, Emmanuel (2013). Alternative separation of exchange and correlation energies in multi-configuration range-separated density-functional theory. Journal of Chemical Physics.  ISSN 0021-9606.  139(13) . doi: 10.1063/1.4822135
  • Teale, Andrew Michael; Lutnæs, Ola Berg; Helgaker, Trygve; Tozer, David J. & Gauss, Jürgen (2013). Benchmarking density-functional theory calculations of NMR shielding constants and spin-rotation constants using accurate coupled-cluster calculations. Journal of Chemical Physics.  ISSN 0021-9606.  138(2) . doi: 10.1063/1.4773016
  • Borgoo, Alex; Teale, Andrew Michael & Tozer, David J. (2012). Effective homogeneity of the exchange-correlation and non-interacting kinetic energy functionals under density scaling. Journal of Chemical Physics.  ISSN 0021-9606.  136(3) . doi: 10.1063/1.3676722
  • Teale, Andrew Michael; Coriani, Sonia & Helgaker, Trygve (2012). Range-dependent adiabatic connections. AIP Conference Proceedings.  ISSN 0094-243X.  1504, s 92- 99 . doi: 10.1063/1.4771706 Full text in Research Archive.
  • Tellgren, Erik; Kvaal, Simen; Sagvolden, Espen; Ekström, Ulf Egil; Teale, Andrew Michael & Helgaker, Trygve (2012). Choice of basic variables in current-density-functional theory. Physical Review A. Atomic, Molecular, and Optical Physics.  ISSN 1050-2947.  86(6) . doi: 10.1103/PhysRevA.86.062506 Full text in Research Archive.
  • Grabowski, Ireneusz; Teale, Andrew Michael; Smiga, Szymon & Bartlett, Rodney J. (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. Journal of Chemical Physics.  ISSN 0021-9606.  135(11) . doi: 10.1063/1.3636114
  • Klopper, Wim; Teale, Andrew Michael; Coriani, Sonia; Pedersen, Thomas Bondo & Helgaker, Trygve (2011). Spin flipping in ring-coupled-cluster-doubles theory. Chemical Physics Letters.  ISSN 0009-2614.  510(1-3), s 147- 153 . doi: 10.1016/j.cplett.2011.04.101
  • Strømsheim, Marie Døvre; Kumar, Neena Theresa; Coriani, Sonia; Sagvolden, Espen; Teale, Andrew Michael & Helgaker, Trygve (2011). Dispersion interactions in density-functional theory: An adiabatic-connection analysis. Journal of Chemical Physics.  ISSN 0021-9606.  135(19) . doi: 10.1063/1.3660357
  • Peach, Michael J. G.; Kattirtzi, JA; Teale, Andrew Michael & Tozer, David J. (2010). Shielding Constants and Chemical Shifts in DFT: Influence of Optimized Effective Potential and Coulomb-Attenuation. Journal of Physical Chemistry A.  ISSN 1089-5639.  114(26), s 7179- 7186 . doi: 10.1021/jp102465x
  • Teale, Andrew Michael; Coriani, Sonia & Helgaker, Trygve (2010). Accurate calculation and modeling of the adiabatic connection in density functional theory. Journal of Chemical Physics.  ISSN 0021-9606.  132(16) . doi: 10.1063/1.3380834
  • Teale, Andrew Michael; Coriani, Sonia & Helgaker, Trygve (2010). Range-dependent adiabatic connections. Journal of Chemical Physics.  ISSN 0021-9606.  133(16) . doi: 10.1063/1.3488100
  • Lutnæs, Ola B.; Teale, AM; Helgaker, Trygve; Tozer, DJ; Ruud, Kenneth & Gauss, J (2009). Benchmarking density-functional-theory calculations of rotational g tensors and magnetizabilities using accurate coupled-cluster calculations. Journal of Chemical Physics.  ISSN 0021-9606.  131(14) . doi: 10.1063/1.3242081
  • Teale, Andrew Michael; Coriani, Sonia & Helgaker, Trygve (2009). The calculation of adiabatic-connection curves from full configuration-interaction densities: Two-electron systems. Journal of Chemical Physics.  ISSN 0021-9606.  130(10) . doi: 10.1063/1.3082285

View all works in Cristin

  • Borgoo, Alex; Tozer, David J.; Teale, Andrew Michael & Helgaker, Trygve (2016). Approximate orbital-free non-interacting kinetic energy density functionals from density scaling.
  • Borgoo, Alex; Teale, Andrew Michael & Helgaker, Trygve (2015). Excitation energies from ensemble DFT.
  • Tellgren, Erik; Teale, Andrew Michael; Ekström, Ulf Egil; Kvaal, Simen; Sagvolden, Espen & Helgaker, Trygve (2015). Current density functional theory for molecular systems in strong magnetic fields.
  • Borgoo, Alex; Teale, Andrew Michael & Helgaker, Trygve (2014). Ensemble energies: An alternative route to excitation energies.
  • Helgaker, Trygve; Borgoo, Alex; Ekström, Ulf Egil; Furness, James; Hoffmann, Mark; Kvaal, Simen; Lange, Kai Kaarvann; Reimann, Sarah; Sagvolden, Espen; Stopkowicz, Stella; Tellgren, Erik & Teale, Andrew Michael (2014). Density-Functional Theory in Magnetic Fields.
  • Helgaker, Trygve; Kvaal, Simen; Ekström, Ulf Egil & Teale, Andrew Michael (2014). Differentiable but Exact Formulation of Density-Functional Theory.
  • Helgaker, Trygve; Kvaal, Simen; Teale, Andrew Michael & Ekström, Ulf Egil (2014). Differentiable but Exact Formulation of Density-Functional Theory.
  • Helgaker, Trygve; Kvaal, Simen; Teale, Andrew Michael; Ekström, Ulf Egil; Jørgensen, Poul & Olsen, Jeppe (2014). Differentiable but Exact Formulation of Density-Functional Theory.
  • Pedersen, Thomas Bondo; Rekkedal, Johannes Andreas; Leikanger, Karl R.; Iozzi, Maria Francesca; Coriani, Sonia; Teale, Andrew Michael & Helgaker, Trygve (2014). Molecular Properties in the Random Phase Approximation.
  • Teale, Andrew Michael; Furness, James; Tellgren, Erik; Ekström, Ulf Egil & Helgaker, Trygve (2014). Density Functional Theory for Molecules in Magnetic Fields.
  • Borgoo, Alex; Sagvolden, Espen; Teale, Andrew Michael; Knecht, Stefan; Savin, A & Helgaker, Trygve (2013). Adiabatic connection for ensemble energies: \\An alternative route to excitation energies.
  • Borgoo, Alex; Savin, A; Knecht, Stefan; Teale, Andrew Michael; Helgaker, Trygve & Sagvolden, Espen (2013). Adiabatic connection for ensemble energies: \\An alternative route to excitation energies.
  • Borgoo, Alex; Teale, Andrew Michael & Tozer, David J. (2013). Homogeneity under density scaling and kinetic energy of the non-interacting system.
  • Pedersen, Thomas Bondo; Rekkedal, Johannes Andreas; Iozzi, Maria Francesca; Coriani, Sonia; Teale, Andrew Michael & Helgaker, Trygve (2013). Molecular Properties in the Random Phase Approximation.
  • Teale, Andrew Michael (2008). Calculating accurate adiabatic connection curves from ab initio electronic densities.

View all works in Cristin

Published Nov. 11, 2010 9:00 AM - Last modified Sep. 24, 2012 1:13 PM