Journal of Theoretical and Computational Chemistry

HEISENBERG MODEL AND ITS APPLICATIONS TO π-CONJUGATED SYSTEMS

Shuhua Li, Jing Ma, Yuansheng Jiang

Published Oct 1, 2002• 3 citations

Abstract

This paper briefly reviewed the Heisenberg model and its improvement by including higher order corrections, and their applications to bond lengths, stability, and reactivity of non-benzenoids and the low-lying excitation spectra of conjugated systems. Two efficient computational methods, the Lanczos method and the density-matrix renormalization group (DMRG), for exactly and approximately solving various Heisenberg models, respectively, were briefly introduced.

DOI: 10.1142/s0219633602000270

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