Crystal Field Splittings in Lanthanide Complexes: Inclusion of Correlation Effects beyond Second Order Perturbation Theory-Reference-Cited by-同舟云学术

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Crystal Field Splittings in Lanthanide Complexes: Inclusion of Correlation Effects beyond Second Order Perturbation Theory

Published:2018-06-15 Issue:8 Volume:14 Page:3998-4009
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Hallmen P. P.¹²^ORCID,Rauhut G.²^ORCID,Stoll H.²,Mitrushchenkov A. O.³,van Slageren J.¹

Affiliation:

1. Institute of Physical Chemistry, University of Stuttgart, Pfaffenwaldring 55, 70569 Stuttgart, Germany

2. Institute of Theoretical Chemistry, University of Stuttgart, Pfaffenwaldring 55, 70569 Stuttgart, Germany

3. Laboratoire de Modélisation et Simulation Multi Echelle, Université Paris-Est, MSME UMR 8208, 5 bd Descartes, 77454 Marne-la-Vallée, France

Funder

Vector Foundation

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.8b00184

Reference76 articles.

1. Toward Molecular 4f Single-Ion Magnet Qubits

2. Molecular single-ion magnets based on lanthanides and actinides: Design considerations and new advances in the context of quantum technologies

3. Lanthanides and Actinides in Molecular Magnetism

4. Supramolecular spin valves

5. Molecular Spintronics Based on Single-Molecule Magnets Composed of Multiple-Decker Phthalocyaninato Terbium(III) Complex

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