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Dispersion Interactions with Density-Functional Theory: Benchmarking Semiempirical and Interatomic Pairwise Corrected Density Functionals

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Tkatchenko,  Alexandre
Theory, Fritz Haber Institute, Max Planck Society;

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Rossi,  Mariana
Theory, Fritz Haber Institute, Max Planck Society;

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Gobre,  Vivekanand
Theory, Fritz Haber Institute, Max Planck Society;

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Scheffler,  Matthias
Theory, Fritz Haber Institute, Max Planck Society;

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Marom, N., Tkatchenko, A., Rossi, M., Gobre, V., Hod, O., Scheffler, M., et al. (2011). Dispersion Interactions with Density-Functional Theory: Benchmarking Semiempirical and Interatomic Pairwise Corrected Density Functionals. Journal of Chemical Theory and Computation, 7(12), 3944-3951. doi:10.1021/ct2005616.


Cite as: https://hdl.handle.net/11858/00-001M-0000-000F-3FE6-7
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