Support

Support Options

Submit a Support Ticket

 

[Pending] Study of the Electronic Structure of Alternant Radicals by the DODS Method

By Yuri A Kruglyak

Odessa State Environmental University

Category

Papers

Published on

Abstract

The polarization of closed shells in an alternant polyene radical due to the field of its unpaired electron is discussed. It is shown that the Hartree–Fock solution is unstable relative to a small perturbation caused by polarization of closed shells in a long polyene radical. Its ground state is found to be antiferromagnetic with a forbidden zone in the spectra of one-particle excitations.
Yuri A.Kruglyak, I.I.Ukrainsky
Study of the Electronic Structure of Alternant Radicals by the DODS Method
Intern. J. Quantum Chem. IV(1), 57 - 72 (1970)
DOI: 10.1002/qua.560040106

Cite this work

Researchers should cite this work as follows:

  • Yuri A Kruglyak (2012), "Study of the Electronic Structure of Alternant Radicals by the DODS Method," http://nanohub.org/resources/13436.

    BibTex | EndNote

Tags

nanoHUB.org, a resource for nanoscience and nanotechnology, is supported by the National Science Foundation and other funding agencies. Any opinions, findings, and conclusions or recommendations expressed in this material are those of the author(s) and do not necessarily reflect the views of the National Science Foundation.