Electronic Wavefunction Tiles
Yu Liu A , Terry J. Frankcombe B and Timothy W. Schmidt
A C
A ARC Centre of Excellence in Exciton Science, School of Chemistry, UNSW Sydney, NSW 2052, Australia.
B School of Science, UNSW Canberra, ACT 2600, Australia.
C Corresponding author. Email: timothy.schmidt@unsw.edu.au
Australian Journal of Chemistry 73(8) 757-766 https://doi.org/10.1071/CH19517
Submitted: 15 October 2019 Accepted: 25 November 2019 Published: 6 May 2020
Journal Compilation © CSIRO 2020 Open Access CC BY-NC-ND
Abstract
We review the pre-quantum theories of electronic structure of Lewis and Langmuir, and how this relates to the post-quantum double-quartet theory of Linnett. Linnett’s ideas are put on a firm theoretical footing through the emergence of the wavefunction tile: The 3N-dimensional repeating structure of the N-electron wavefunction. Wavefunction tiles calculated by the dynamic Voronoi Metropolis sampling method are reviewed, and new results are presented for bent bonds of cyclopropane, and electron correlation in Be-O-Be.
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