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Spin-free quantum chemistry. XII. Coarse structure magnetic theory

✍ Scribed by F. A. Matsen; A. L. Ford

Publisher
John Wiley and Sons
Year
1973
Tongue
English
Weight
397 KB
Volume
7
Category
Article
ISSN
0020-7608

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✦ Synopsis

Abstract

The coarse structure magnetic theory presented here is a reformulation of conventional magnetic theory which emphasizes the spin‐free (i.e., the coulombic) nature of the electron‐electron interaction. We show that the magnetic properties of a system for which fine and hyperfine structure can be neglected depend only on the energy spectrum of a spin‐free Hamiltonian. As an example, we treat the Heisenberg linear chain.

📜 SIMILAR VOLUMES

Spin-Free Quantum Chemistry. XXI. Hartre
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## Abstract The theory of the open‐and closed‐shell restricted Hartree–Fock method is given a unitary group formulation. Both extremum and stability conditions are employed, the former leading to a generalized Brillouin theorem.

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The Ising, small-bipolaron (ISB) theory is a strong-coupling theory of cuprate superconductivity which is based on the negative-U, Hubbard Hamiltonian. Its ground state is composed of (small) bipolarons and (small-bipolaron) holes with a vibronically induced, bipolaron-hole exchange interaction, JBH

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## Abstract We have developed a many‐body version of Woodward–Hoffmann theory which is capable of rapid computation of π‐electronic surfaces. This theory, called the Hückel–Hubbard theory, employs Hückel parameters as reaction coordinates and the Hubbard parameter for electron repulsion. We apply i