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Results for HARTREE-FOCK

Publications & Outputs

  1. Overcoming Low Orbital Overlap and Triplet Instability Problems in TDDFT

    Peach, M. J. G. & Tozer, D. J., 4/10/2012, In: Journal of Physical Chemistry A. 116, 39, p. 9783-9789 7 p.

    Research output: Contribution to journalJournal articlepeer-review

  2. Influence of triplet instabilities in TDDFT

    Peach, M. J. G., Williamson, M. J. & Tozer, D. J., 11/2011, In: Journal of Chemical Theory and Computation. 7, 11, p. 3578-3585 8 p.

    Research output: Contribution to journalJournal articlepeer-review

  3. 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

  4. 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 journalJournal articlepeer-review

  5. Structural and electronic properties of polvacetylene and polyyne from hybrid and coulomb-attenuated density functionals

    Peach, M. J. G., Tellgren, E. I., Salek, P., Helgaker, T. & Tozer, D. J., 22/11/2007, In: Journal of Physical Chemistry A. 111, 46, p. 11930-11935 6 p.

    Research output: Contribution to journalJournal articlepeer-review