Full three-body primitive semiclassical treatment of H{sub 2}{sup +}
- Chemical and Analytical Sciences Division 4500N MS6197, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831 (United States)
Primitive semiclassical quantization of H{sub 2}{sup +} and D{sub 2}{sup +} without the restriction of the separation of electronic and nuclear motions, reveals the existence of a small (10{percent}) classical contribution to the one-electron chemical bond. It is found that in the electronic ground state the electron is exchanged classically between the two nuclei and that this exchange is correlated with the molecular vibration. {copyright} {ital 1998} {ital The American Physical Society}
- OSTI ID:
- 573883
- Journal Information:
- Physical Review A, Journal Name: Physical Review A Journal Issue: 2 Vol. 57; ISSN 1050-2947; ISSN PLRAAN
- Country of Publication:
- United States
- Language:
- English
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