From ab Initio Calculations to Model Hamiltonians: The Effective Hamiltonian Technique as an Efficient Tool to Describe Mixed-Valence Molecules
Author:
Affiliation:
1. Laboratoire de Chimie Quantique, Institut Le Bel, UMR 7551 CNRS/Université Louis Pasteur, 4 rue Blaise Pascal 67000 Strasbourg, France
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp034176%2B
Reference38 articles.
1. Direct approach to measuring the Franck-Condon barrier to electron transfer between metal ions
2. Energy surfaces, reorganization energies, and coupling elements in electron transfer
3. Quantum chemical probes of electron-transfer kinetics: the nature of donor-acceptor interactions
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