The electronic structure of benzene from a tiling of the correlated 126-dimensional wavefunction
The electronic structure of benzene has been a test bed for competing theories along the years. Here the authors show via quantum chemistry calculations that the wavefunction of benzene can be partitioned into tiles which show that the two electron spins exhibit staggered Kekulé structures.
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| Auteurs principaux: | , , , |
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| Format: | article |
| Langue: | EN |
| Publié: |
Nature Portfolio
2020
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| Sujets: | |
| Accès en ligne: | https://doaj.org/article/f4929fbf29ee43778aee65340942a569 |
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