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| Format: | Recurso digital |
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Zenodo
2026
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| Online Access: | https://doi.org/10.5281/zenodo.18456617 |
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Table of Contents:
- <h3>Abstract:</h3> <p>In this presentation, a short introduction to valence bond theory will be given. The general idea will be explained together with the form of the wavefunction. Furthermore, some insight into the computational challenges will be provided. After the general theory, a few examples of valence bond theory will be shown to discuss the value of the theory for solving chemical problems.</p> <h3>Keywords:</h3> <p>Valence bond theory, non-orthogonal configuration interaction, orbital optimization, resonance, chemical concepts</p> <h3>Suggested Reading:</h3> <p>[1] S.S. Shaik, P.C. Hiberty, A chemists’ guide to valence bond theory, John Wiley & Sons Inc., Hoboken, New Jersey, 2008 (ISBN 978-0-470-03735-5)</p>