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Overcoming Low Orbital Overlap and Triplet Instability Problems in TDDFTPeach, M.J.G., Tozer, D.J. 4/10/2012 In: Journal of Physical Chemistry A. 116, 39, p. 9783-9789. 7 p.
Excitation energies in density functional theory: An evaluation and a diagnostic testPeach, M.J.G., Benfield, P., Helgaker, T., Tozer, D.J. 28/01/2008 In: Journal of Chemical Physics. 128, 4, 8 p.
TDDFT diagnostic testing and functional assessment for triazene chromophoresPeach, M.J.G., Le Sueur, C.R., Ruud, K., Guillaume, M., Tozer, D.J. 2009 In: Physical Chemistry Chemical Physics. 11, 22, p. 4465-4470. 6 p.
Influence of triplet instabilities in TDDFTPeach, 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.
Assessment of tuning methods for enforcing approximate energy linearity in range-separated hybrid functionalsGledhill, J., Peach, M., Tozer, D.J. 8/10/2013 In: Journal of Chemical Theory and Computation. 9, 10, p. 4414-4420. 7 p.