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The symmetry of reduced density matrices. I. General algebraic approach and permutational symmetry

✍ Scribed by D. J. Klein; R. W. Kramling


Publisher
John Wiley and Sons
Year
2009
Tongue
English
Weight
576 KB
Volume
4
Category
Article
ISSN
0020-7608

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πŸ“œ SIMILAR VOLUMES


Permutational symmetry of reduced densit
✍ Eugene S. Kryachko πŸ“‚ Article πŸ“… 1977 πŸ› John Wiley and Sons 🌐 English βš– 450 KB

## Abstract The problems of permutational symmetry of the density matrices in reduction are studied. Some necessary and sufficient conditions for __N__, [Ξ»~1~], [Ξ»~2~]‐derivability problem are given.

Configuration interaction matrix element
✍ P. E. S. Wormer; J. Paldus πŸ“‚ Article πŸ“… 1979 πŸ› John Wiley and Sons 🌐 English βš– 715 KB

## Abstract Matrix elements of unitary group generators between spin‐adapted antisymmetric states are shown to be proportional to spin matrix elements of so‐called β€œline‐up” permutations. The proportionality factor is given explicitly as a simple function of the orbital occupation numbers. If one b