Electronic Wavefunction Tiles

被引：3
|
作者：
Liu, Yu [1 ]
Frankcombe, Terry J. [2 ]
Schmidt, Timothy W. [1 ]
机构：
[1] UNSW Sydney, Sch Chem, ARC Ctr Excellence Exciton Sci, Sydney, NSW 2052, Australia
[2] UNSW Canberra, Sch Sci, Canberra, ACT 2600, Australia
来源：
AUSTRALIAN JOURNAL OF CHEMISTRY | 2020年 / 73卷 / 08期
基金：
澳大利亚研究理事会;
关键词：
ATOMS; DENSITIES;
D O I：
10.1071/CH19517
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
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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页码：757 / 766
页数：10
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