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Computation in the spin-free formulation of the polyelectronic problem

✍ Scribed by D. J. Klein; R. D. Poshusta; B. R. Junker; F. A. Matsen

Publisher
John Wiley and Sons
Year
2009
Tongue
English
Weight
217 KB
Volume
5
Category
Article
ISSN
0020-7608

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📜 SIMILAR VOLUMES

Spin-Free quantum chemistry. XVIII. The
Spin-Free quantum chemistry. XVIII. The unitary group formulation of the many-electron problem
✍ F. A. Matsen 📂 Article 📅 1976 🏛 John Wiley and Sons 🌐 English ⚖ 555 KB

## Abstract The representation of an __N__‐electron Schrödinger Hamiltonian on an orthonormal, spin‐free (freon) orbital product space is exactly modeled by a second‐degree polynomial in the infinitesimal generators of the unitary group. Symmetry adaptation of the orbital product space with respect

Symmetry adaptation and the relation bet
Symmetry adaptation and the relation between the spin-free and space-spin formulations of electronic structure
✍ D. J. Klein; A. A. Cantu 📂 Article 📅 1974 🏛 John Wiley and Sons 🌐 English ⚖ 486 KB

## Abstract An information‐theoretic degree of symmetry adaptation of a ket with respect to a given group is introduced. Then the general equivalence between spin‐free electronic kets and antisymmetrized space‐spin kets is obtained so long as our attention is restricted to spin‐independent observab