All Stories

  1. Real-time time-dependent self-consistent field methods with dynamic magnetic fields

    Article • The Journal of Chemical Physics, September 2023, American Institute of Physics

    Andrew Teale, Dr Meilani Wibowo

  2. Erratum: “GW quasiparticle energies of atoms in strong magnetic fields” [J. Chem. Phys. 150, 214112 (2019)]

    Article • The Journal of Chemical Physics, August 2019, American Institute of Physics

    Andrew Teale, Florian Hampe

  3. GW quasiparticle energies of atoms in strong magnetic fields

    Article • The Journal of Chemical Physics, June 2019, American Institute of Physics

    Andrew Teale, Florian Hampe

  4. Differentiable but exact formulation of density-functional theory

    Article • The Journal of Chemical Physics, March 2014, American Institute of Physics

    Andrew Teale

  5. Non-perturbative calculation of molecular magnetic properties within current-density functional theory

    Article • The Journal of Chemical Physics, January 2014, American Institute of Physics

    Andrew Teale

  6. Atomic electron affinities and the role of symmetry between electron addition and subtraction in a corrected Koopmans approach

    Article • Physical Chemistry Chemical Physics, January 2014, Royal Society of Chemistry

    Andrew Teale

  7. Revisiting the density scaling of the non-interacting kinetic energy

    Article • Physical Chemistry Chemical Physics, January 2014, Royal Society of Chemistry

    Andrew Teale, Dr Alex Borgoo

  8. A density difference based analysis of orbital-dependent exchange-correlation functionals

    Article • Molecular Physics, November 2013, Taylor & Francis

    Andrew Teale

  9. Alternative separation of exchange and correlation energies in multi-configuration range-separated density-functional theory

    Article • The Journal of Chemical Physics, October 2013, American Institute of Physics

    Andrew Teale

  10. The Dalton quantum chemistry program system

    Article • Wiley Interdisciplinary Reviews Computational Molecular Science, September 2013, Wiley

    Dr Stephan P. A. Sauer, Andrew Teale, Jógvan Magnus Haugaard Olsen, Professor Hans Jørgen Aagaard Jensen

  11. Communication: Analytic gradients in the random-phase approximation

    Article • The Journal of Chemical Physics, August 2013, American Institute of Physics

    Andrew Teale

  12. Foreword

    Article • Molecular Physics, July 2013, Taylor & Francis

    Andrew Teale

  13. High accuracy ab initio studies of electron-densities for the ground state of Be-like atomic systems

    Article • The Journal of Chemical Physics, April 2013, American Institute of Physics

    Andrew Teale

  14. Analysis of double-hybrid density functionals along the adiabatic connection

    Article • Molecular Physics, April 2013, Taylor & Francis

    Andrew Teale

  15. Benchmarking density-functional theory calculations of NMR shielding constants and spin–rotation constants using accurate coupled-cluster calculations

    Article • The Journal of Chemical Physics, January 2013, American Institute of Physics

    Andrew Teale

  16. Choice of basic variables in current-density-functional theory

    Article • Physical Review A, December 2012, American Physical Society (APS)

    Andrew Teale

  17. Effective homogeneity of the exchange–correlation and non-interacting kinetic energy functionals under density scaling

    Article • The Journal of Chemical Physics, January 2012, American Institute of Physics

    Andrew Teale, Dr Alex Borgoo

  18. Range-dependent adiabatic connections

    Article • January 2012, American Institute of Physics

    Andrew Teale

  19. Dispersion interactions in density-functional theory: An adiabatic-connection analysis

    Article • The Journal of Chemical Physics, November 2011, American Institute of Physics

    Andrew Teale

  20. Comparing ab initio density-functional and wave function theories: The impact of correlation on the electronic density and the role of the correlation potential

    Article • The Journal of Chemical Physics, September 2011, American Institute of Physics

    Andrew Teale

  21. Spin flipping in ring-coupled-cluster-doubles theory

    Article • Chemical Physics Letters, June 2011, Elsevier

    Andrew Teale

  22. Range-dependent adiabatic connections

    Article • The Journal of Chemical Physics, October 2010, American Institute of Physics

    Andrew Teale

  23. Shielding Constants and Chemical Shifts in DFT: Influence of Optimized Effective Potential and Coulomb-Attenuation

    Article • The Journal of Physical Chemistry A, June 2010, American Chemical Society (ACS)

    Andrew Teale

  24. Accurate calculation and modeling of the adiabatic connection in density functional theory

    Article • The Journal of Chemical Physics, April 2010, American Institute of Physics

    Andrew Teale

  25. Benchmarking density-functional-theory calculations of rotational g tensors and magnetizabilities using accurate coupled-cluster calculations

    Article • The Journal of Chemical Physics, October 2009, American Institute of Physics

    Andrew Teale

  26. The calculation of adiabatic-connection curves from full configuration-interaction densities: Two-electron systems

    Article • The Journal of Chemical Physics, March 2009, American Institute of Physics

    Andrew Teale

  27. Maps of current density using density-functional methods

    Article • The Journal of Chemical Physics, August 2008, American Institute of Physics

    Andrew Teale

  28. Adiabatic connection forms in density functional theory: H2 and the He isoelectronic series

    Article • The Journal of Chemical Physics, August 2008, American Institute of Physics

    Andrew Teale

  29. Orbital energies and negative electron affinities from density functional theory: Insight from the integer discontinuity

    Article • The Journal of Chemical Physics, July 2008, American Institute of Physics

    Andrew Teale

  30. Modeling the adiabatic connection in H2

    Article • The Journal of Chemical Physics, June 2007, American Institute of Physics

    Andrew Teale

  31. Transition metal NMR chemical shifts from optimized effective potentials

    Article • The Journal of Chemical Physics, February 2007, American Institute of Physics

    Andrew Teale

  32. Rotational g Tensors Calculated Using Hybrid Exchange-Correlation Functionals with the Optimized Effective Potential Approach

    Article • Journal of Chemical Theory and Computation, April 2006, American Chemical Society (ACS)

    Andrew Teale

  33. The intramolecular β-fluorine⋯ammonium interaction in 4- and 8-membered rings

    Article • Chemical Communications, January 2006, Royal Society of Chemistry

    Andrew Teale

  34. Exchange methods in Kohn–Sham theory

    Article • Physical Chemistry Chemical Physics, January 2005, Royal Society of Chemistry

    Andrew Teale

  35. Ground- and excited-state diatomic bond lengths, vibrational levels, and potential-energy curves from conventional and localized Hartree–Fock-based density-functional theory

    Article • The Journal of Chemical Physics, December 2004, American Institute of Physics

    Andrew Teale

  36. Exchange representations in Kohn–Sham NMR shielding calculations

    Article • Chemical Physics Letters, January 2004, Elsevier

    Andrew Teale