The coset space treatment of the molecular electronic dynamics is demonstrated in which Hiickel orbitals are merely special points in the complicated, multi-dimensional manifolds. The results for the propenyl and cyclo-propenyl systems with degenerate site energies show that for symmetric inter-site
✦ LIBER ✦
Derivation of the electronic nonadiabatic coupling field in molecular systems: An algebraic-vectorial approach
✍ Scribed by Vértesi, T.; Vibók, Á.; Halász, G. J.; Baer, M.
- Book ID
- 118019389
- Publisher
- American Institute of Physics
- Year
- 2004
- Tongue
- English
- Weight
- 298 KB
- Volume
- 120
- Category
- Article
- ISSN
- 0021-9606
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