Fermion-propagator calculations of excitations in polyenes with the use of a Heisenberg (XYZ) Hamiltonian. I. Formalism and parametrization

Vladimiro Mujica, Nestor Correia, and Osvaldo Goscinski
Phys. Rev. B 32, 4178 – Published 15 September 1985
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Abstract

An effective spin operator of the Heisenberg type is used for studying the low-lying excitation spectrum of linear polyenes. A Jordan-Wigner transformation allows one to write the spin Hamiltonian in terms of fermion operators, and a single-fermion propagator is employed for calculating the excitation energies of the system. The correlated reference states for the propagator are expressed in terms of neutral valence-bond fermion configurations. Results are given for small linear polyenes with N sites. Some results for small rings are also given.

  • Received 26 December 1984

DOI:https://doi.org/10.1103/PhysRevB.32.4178

©1985 American Physical Society

Authors & Affiliations

Vladimiro Mujica, Nestor Correia, and Osvaldo Goscinski

  • Department of Quantum Chemistry, Uppsala University, Box 518, S-751 20 Uppsala, Sweden

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Issue

Vol. 32, Iss. 6 — 15 September 1985

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