Measuring multi-configurational character by orbital entanglement
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Date
2017Type
- Journal Article
Publication status
publishedJournal / series
Molecular PhysicsVolume
Pages / Article No.
Publisher
Taylor & FrancisSubject
Density matrix renormalisation group; Electron correlation; Multi-configurational diagnostic; Orbital entanglementOrganisational unit
03736 - Reiher, Markus / Reiher, Markus
Funding
169120 - Development of quantum chemical methods for the calculation of structures, energetics and spectroscopy of transition metal complexes (SNF)
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