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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Autores principales:	Yu Liu, Phil Kilby, Terry J. Frankcombe, Timothy W. Schmidt
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2020
Materias:	Science Q
Acceso en línea:	https://doaj.org/article/f4929fbf29ee43778aee65340942a569
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spelling	oai:doaj.org-article:f4929fbf29ee43778aee65340942a5692021-12-02T14:42:49ZThe electronic structure of benzene from a tiling of the correlated 126-dimensional wavefunction10.1038/s41467-020-15039-92041-1723https://doaj.org/article/f4929fbf29ee43778aee65340942a5692020-03-01T00:00:00Zhttps://doi.org/10.1038/s41467-020-15039-9https://doaj.org/toc/2041-1723The 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.Yu LiuPhil KilbyTerry J. FrankcombeTimothy W. SchmidtNature PortfolioarticleScienceQENNature Communications, Vol 11, Iss 1, Pp 1-5 (2020)
institution	DOAJ
collection	DOAJ
language	EN
topic	Science Q
spellingShingle	Science Q Yu Liu Phil Kilby Terry J. Frankcombe Timothy W. Schmidt The electronic structure of benzene from a tiling of the correlated 126-dimensional wavefunction
description	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.
format	article
author	Yu Liu Phil Kilby Terry J. Frankcombe Timothy W. Schmidt
author_facet	Yu Liu Phil Kilby Terry J. Frankcombe Timothy W. Schmidt
author_sort	Yu Liu
title	The electronic structure of benzene from a tiling of the correlated 126-dimensional wavefunction
title_short	The electronic structure of benzene from a tiling of the correlated 126-dimensional wavefunction
title_full	The electronic structure of benzene from a tiling of the correlated 126-dimensional wavefunction
title_fullStr	The electronic structure of benzene from a tiling of the correlated 126-dimensional wavefunction
title_full_unstemmed	The electronic structure of benzene from a tiling of the correlated 126-dimensional wavefunction
title_sort	electronic structure of benzene from a tiling of the correlated 126-dimensional wavefunction
publisher	Nature Portfolio
publishDate	2020
url	https://doaj.org/article/f4929fbf29ee43778aee65340942a569
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The electronic structure of benzene from a tiling of the correlated 126-dimensional wavefunction

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