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Electronic–geometric coupling in model reactive system

✍ Scribed by R. F. Nalewajski


Publisher
Springer
Year
2010
Tongue
English
Weight
365 KB
Volume
48
Category
Article
ISSN
0259-9791

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Vibronic coupling model for a three-site
✍ Kin Yip Wong 📂 Article 📅 1986 🏛 Elsevier Science 🌐 English ⚖ 410 KB

By solving the vibronic Hamiltonian for a three-site single-electron system, it is shown that two vibrational normal modes of the system contribute to the width of the intervalence band. In particular, the symmetric mode involvmg stretching vibration from each srte IS shown to contribute dominantly