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Andreas Hesselmann

10

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Accurate Intermolecular Potential for the C60 Dimer: The Performance of Different Levels of Quantum Theory.

2017 Journal of Chemical Theory and Computation
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Directional Noncovalent Interactions: Repulsion and Dispersion.

2013 Journal of Chemical Theory and Computation
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Comparison of Intermolecular Interaction Energies from SAPT and DFT Including Empirical Dispersion Contributions

2011 Journal of Physical Chemistry A
- Andreas Hesselmann
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On the accuracy of DFT-SAPT, MP2, SCS-MP2, MP2C, and DFT+Disp methods for the interaction energies of endohedral complexes of the C60 fullerene with a rare gas atom

2011 Physical Chemistry Chemical Physics
- Andreas Hesselmann
- Tatiana Korona
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Symmetry-Adapted Perturbation Theory Applied to Endohedral Fullerene Complexes: A Stability Study of H2@C60 and 2H2@C60.

2009 Journal of Chemical Theory and Computation
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Derivation of the dispersion energy as an explicit density- and exchange-hole functional

2009 Journal of Chemical Physics
- Andreas Hesselmann
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Relation between exchange-only optimized potential and Kohn-Sham methods with finite basis sets; solution of a paradox

2007 arXiv: Chemical Physics
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Interaction energy contributions of H-bonded and stacked structures of the AT and GC DNA base pairs from the combined density functional theory and intermolecular perturbation theory approach.

2006 Journal of the American Chemical Society
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Comment on “Using Kohn−Sham Orbitals in Symmetry-Adapted Perturbation Theory To Investigate Intermolecular Interactions”

2001 Journal of Physical Chemistry A
- Georg Jansen and
- Andreas Hesselmann
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Citations (156)