Geminal Delocalization of .sigma.-Electrons and Ring Strains
β Scribed by Inagaki, Satoshi; Ishitani, Yoshifumi; Kakefu, Takuo
- Book ID
- 126849890
- Publisher
- American Chemical Society
- Year
- 1994
- Tongue
- English
- Weight
- 580 KB
- Volume
- 116
- Category
- Article
- ISSN
- 0002-7863
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π SIMILAR VOLUMES
We present a computer simulation study of a disordered two-dimensional system of localized interacting electrons at thermal equilibrium. Is is shown that the configuration of occupied sites within the Coulomb gap persistently changes at temperatures much less than the gap width. Also, we observe the
A Feynman path integral method for evaluating the quantum delocalization of atomic nuclei is combined with a scheme for calculating electronic delocalization parameters in the correlated electronic ground state. As model system we have selected the cyclobutadiene molecule whose ~'-electronic structu