Reconciling Local Coupled Cluster with Multireference Approaches for Transition Metal Spin-State Energetics
Author:
Affiliation:
1. Inorganic Chemistry Laboratory, National and Kapodistrian University of Athens, Panepistimiopolis, Zografou 15771, Greece
2. Max-Planck-Institut für Kohlenforschung, Kaiser-Wilhelm-Platz 1, 45470 Mülheim an der Ruhr, Germany
Funder
Hellenic Foundation for Research and Innovation
Max-Planck-Gesellschaft
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.2c00265
Reference92 articles.
1. Dealing with Spin States in Computational Organometallic Catalysis
2. Application of Density Functional and Density Functional Based Ligand Field Theory to Spin States
3. Ab Initio Wavefunction Approaches to Spin States
4. Spinning around in Transition-Metal Chemistry
5. Discussion of an open problem
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