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Hedegård ED, Knecht S, Kielberg JS, et al. Density matrix renormalization group with efficient dynamical electron correlation through range separation. J Chem Phys. 2015;142(22):224108doi: 10.1063/1.4922295.
Hedegård, E. D., Knecht, S., Kielberg, J. S., Jensen, H. J., & Reiher, M. (2015). Density matrix renormalization group with efficient dynamical electron correlation through range separation. The Journal of chemical physics, 142(22), 224108. https://doi.org/10.1063/1.4922295
Hedegård, Erik Donovan, et al. "Density matrix renormalization group with efficient dynamical electron correlation through range separation." The Journal of chemical physics vol. 142,22 (2015): 224108. doi: https://doi.org/10.1063/1.4922295
Hedegård ED, Knecht S, Kielberg JS, Jensen HJ, Reiher M. Density matrix renormalization group with efficient dynamical electron correlation through range separation. J Chem Phys. 2015 Jun 14;142(22):224108. doi: 10.1063/1.4922295. PMID: 26071702.
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J Chem Phys. 2015 Jun 14;142(22):224108. doi: 10.1063/1.4922295.

Density matrix renormalization group with efficient dynamical electron correlation through range separation.

The Journal of chemical physics

Erik Donovan Hedegård, Stefan Knecht, Jesper Skau Kielberg, Hans Jørgen Aagaard Jensen, Markus Reiher

Affiliations

  1. Laboratorium für Physikalische Chemie, ETH Zürich, Vladimir-Prelog-Weg 2, CH-8093 Zürich, Switzerland.
  2. Department of Physics, Chemistry and Pharmacy, University of Southern Denmark, Campusvej 55, Odense, Denmark.

PMID: 26071702 DOI: 10.1063/1.4922295

Abstract

We present a new hybrid multiconfigurational method based on the concept of range-separation that combines the density matrix renormalization group approach with density functional theory. This new method is designed for the simultaneous description of dynamical and static electron-correlation effects in multiconfigurational electronic structure problems.

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