Fast density matrix-based partitioning of the energy over the atoms in a molecule consistent with the hirshfeld-I partitioning of the electron density
Article first published online: 15 SEP 2011
Copyright © 2011 Wiley Periodicals, Inc.
Journal of Computational Chemistry
Volume 32, Issue 16, pages 3485–3496, December 2011
How to Cite
Vanfleteren, D., Ghillemijn, D., Van Neck, D., Bultinck, P., Waroquier, M. and Ayers, P. W. (2011), Fast density matrix-based partitioning of the energy over the atoms in a molecule consistent with the hirshfeld-I partitioning of the electron density. J. Comput. Chem., 32: 3485–3496. doi: 10.1002/jcc.21933
- Issue published online: 14 OCT 2011
- Article first published online: 15 SEP 2011
- Manuscript Accepted: 5 AUG 2011
- Manuscript Received: 29 JUN 2011
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