Ghent, Belgium
Sunday, 1 April, 2012 to Friday, 6 April, 2012
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| Variational optimization of second order density matrices: the past, the present and the future , H. van Aggelen, B. Verstichel, P. Bultinck, D. Van Neck, P.W. Ayers , DFTM2012 , Ghent Univeristy, Het Pand, Ghent, Belgium , Sun, 01/04/2012 to Fri, 06/04/2012 |
| Free energy profile of "breathing" flexible porous frameworks , A. Ghysels, V. Van Speybroeck, M. Waroquier, B. Smit , DFTM2012 , Ghent University, Het Pand, Ghent, Belgium , Sun, 01/04/2012 to Fri, 06/04/2012 |
| Using density functional theory for estimating force field parameters , L. Vanduyfhuys, T. Verstraelen, M. Vandichel, M. Waroquier, V. Van Speybroeck , DFTM2012 , Ghent University, Het Pand, Ghent, Belgium , Sun, 01/04/2012 to Fri, 06/04/2012 |
| ACKS2: atom-condensed Khon Sham DFT approximated to second order , T. Verstraelen, P.W. Ayers, V. Van Speybroeck, M. Waroquier , DFTM2012 , Ghent Univeristy, Het Pand, Ghent, Belgium , Sun, 01/04/2012 to Fri, 06/04/2012 |
| A Khon-Sham-like model for the l-body reduced density matrix from a strongly-correlated reference , P.A. Johnson, P.W. Ayers, S. De Baerdemacker, D. Van Neck, P. Bultinck , DFTM2012 , Ghent University, Het Pand, Ghent, Belgium , Sun, 01/04/2012 to Fri, 06/04/2012 |
| Improving spin-(other)-orbit contributions to the g-tensor in a periodic DFT approach , A. Van Yperen-De Deyne, E. Pauwels, V. Van Speybroeck, M. Waroquier , DFTM2012 , Ghent University, Het Pand, Ghent, Belgium , Sun, 01/04/2012 to Fri, 06/04/2012 |
| The ground state elemental crystals as a benchmark set for solid state DFT properties , K. Lejaeghere, V. Van Speybroeck, G. Van Oost, S. Cottenier , DFTM2012 , Ghent, Belgium , Sun, 01/04/2012 to Fri, 06/04/2012 |
| Trans effect: withdrawing electrons from the reactive region , B. Pinter, V. Van Speybroeck, M. Waroquier, P. Geerlings, F. De Proft , DFTM2012 , Ghent University, Het Pand, Ghent, Belgium , Sun, 01/04/2012 to Fri, 06/04/2012 |
| Variational density study of the one-dimensional Hubbard model: the need for three-particle constraints , B. Verstichel, H. van Aggelen, W. Poelmans, D. Van Neck , DFTM2012 , Ghent University, Het Pand, Ghent, Belgium , Sun, 01/04/2012 to Fri, 06/04/2012 |
| UV-VIS spectra of azo dyes in aqueous environment: a combined TD-DFT and molecular dynamics study , T. De Meyer, K. Hemelsoet, L. Van der Schueren, E. Pauwels, K. De Clerck, V. Van Speybroeck , DFTM2012 , Gent, Belgium , Sun, 01/04/2012 to Fri, 06/04/2012 |
| Three particles constraint as linear inequalities in v2DM optimization , W. Poelmans, B. Verstichel, D. Van Neck , DFTM2012 , Ghent University, Het Pand, Ghent, Belgium , Sun, 01/04/2012 to Fri, 06/04/2012 |
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