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Results for ELECTRON-DENSITIES

Publications & Outputs

  1. On the evaluation of the non-interacting kinetic energy in density functional theory

    Peach, M. J. G., Griffiths, D. G. J. & Tozer, D. J., 14/04/2012, In: Journal of Chemical Physics. 136, 14, 7 p., ARTN 144101.

    Research output: Contribution to Journal/MagazineJournal articlepeer-review

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

    Peach, M. J. G., Kattirtzi, J. A., Teale, A. M. & Tozer, D. J., 8/07/2010, In: Journal of Physical Chemistry A. 114, 26, p. 7179-7186 8 p.

    Research output: Contribution to Journal/MagazineJournal articlepeer-review

  3. Adiabatic connection forms in density functional theory: H(2) and the He isoelectronic series

    Peach, M. J. G., Miller, A. M., Teale, A. M. & Tozer, D. J., 14/08/2008, In: Journal of Chemical Physics. 129, 6, 7 p., ARTN 064105.

    Research output: Contribution to Journal/MagazineJournal articlepeer-review

  4. Modeling the adiabatic connection in H-2

    Peach, M. J. G., Teale, A. M. & Tozer, D. J., 28/06/2007, In: Journal of Chemical Physics. 126, 24, 9 p., 244104.

    Research output: Contribution to Journal/MagazineJournal articlepeer-review