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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 journalJournal articlepeer-review

  2. Exchange and correlation in density functional theory and quantum chemistry

    Peach, M. J. G., Tozer, D. J. & Handy, N. C., 03/2011, In: International Journal of Quantum Chemistry. 111, 3, p. 563-569 7 p.

    Research output: Contribution to journalJournal articlepeer-review

  3. All-electron CASPT2 study of Ce(eta(8)-C8H6)(2)

    Kerridge, A. & Kaltsoyannis, N., 06/2010, In: Comptes Rendus Chimie. 13, 6-7, p. 853-859 7 p.

    Research output: Contribution to journalJournal 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 journalJournal articlepeer-review

  5. Importance of quantum tunneling in vacancy-hydrogen complexes in diamond

    Shaw, M. J., Briddon, P. R., Goss, J. P., Rayson, M. J., Kerridge, A., Harker, A. H. & Stoneham, A. M., 2/09/2005, In: Physical review letters. 95, 10, 4 p., 105502.

    Research output: Contribution to journalJournal articlepeer-review