Compression of Spin-Adapted Multiconfigurational Wave Functions in Exchange-Coupled Polynuclear Spin Systems-Reference-Cited by-同舟云学术

Compression of Spin-Adapted Multiconfigurational Wave Functions in Exchange-Coupled Polynuclear Spin Systems

Published:2020-02-13 Issue:4 Volume:16 Page:2202-2215
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Li Manni Giovanni¹^ORCID,Dobrautz Werner¹,Alavi Ali¹²

Affiliation:

1. Max-Planck-Institut für Festkörperforschung, Heisenbergstraße 1, 70569 Stuttgart, Germany

2. Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge CB2 1EW, United Kingdom

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

http://pubs.acs.org/doi/pdf/10.1021/acs.jctc.9b01013

Reference72 articles.

1. Bogdanov, N. A.; Li Manni, G.; Sharma, S.; Gunnarsson, O.; Alavi, A. New Superexchange Paths Due To Breathing-Enhanced Hopping in Corner-Sharing Cuprates. 2018, arXiv:1803.07026. arXiv.org e-Print archive. https://arxiv.org/abs/1803.07026.

2. STRUCTURE, FUNCTION, AND FORMATION OF BIOLOGICAL IRON-SULFUR CLUSTERS

3. Orbital interactions, electron delocalization and spin coupling in iron-sulfur clusters

4. Interaction Between thedShells in the Transition Metals

5. Considerations on Double Exchange

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