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Spin-Free Quantum Chemistry. XXI. Hartree–Fock theory

✍ Scribed by F. A. Matsen; C. J. Nelin

Publisher
John Wiley and Sons
Year
1979
Tongue
English
Weight
513 KB
Volume
15
Category
Article
ISSN
0020-7608

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✦ Synopsis

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.

📜 SIMILAR VOLUMES

Spin-free quantum chemistry. XII. Coarse
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✍ F. A. Matsen; A. L. Ford 📂 Article 📅 1973 🏛 John Wiley and Sons 🌐 English ⚖ 397 KB

## 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 structur

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## Abstract Second order MCSCF theory is presented in a unitary group formulation for any multiplicity without spin projection. Its reduction to lower order theory is discussed, as well as its extension through the use of effective Hamiltonians.

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✍ F. A. Matsen; J. E. Suger; J. M. Picone 📂 Article 📅 1973 🏛 John Wiley and Sons 🌐 English ⚖ 357 KB

## Abstract We have obtained the Bloch spin wave dispersion formula using the methods of spin‐free quantum chemistry. The spin‐free eigenvectors are waves in spin‐free space. This development makes the point that Bloch spin waves are dynamically spin‐free. The neutron diffraction transition moment