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Chemical bonding motifs from a tiling of the many-electron wavefunction

  • Published:2016 Issue:19 Volume:18 Page:13385-13394
  • ISSN:1463-9076
  • Container-title:Physical Chemistry Chemical Physics
  • language:en
  • Short-container-title:Phys. Chem. Chem. Phys.

Author:

Liu Yu1234,Frankcombe Terry J.5674,Schmidt Timothy W.1234

Affiliation:

1. School of Chemistry

2. UNSW Sydney

3. NSW 2052

4. Australia

5. School of Physical Environmental and Mathematical Sciences

6. UNSW Canberra

7. ACT 2600

Abstract

A method is presented to partition the 3N-dimensional space of a many-electron wavefunction into hyper-regions related by permutation symmetry.

Funder

Australian Research Council

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Reference34 articles.

1. A Conversation on VB vs MO Theory:  A Never-Ending Rivalry?

2. S. Shaik and P. C.Hibberty, in Rev. Comput. Chem., ed. K. B. Lipkowitz, R. Larter and T. R. Cundari, John Wiley & Sons, Hoboken, NJ, 2004, vol. 20

3. The electronic structure of the benzene molecule

4. The electronic structure of the benzene molecule

5. The electronic structure of the benzene molecule

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