The importance of isotopic substitution as a tool for elucidation of chemical reaction events originates in the fact that the Coulombic Hamiltonian is isotopically invariant except for the nuclear kinetic energy term. Thus, in theories of isotope effects based on the BornαOppenheimer scheme, the bas
β¦ LIBER β¦
Dynamic coupling of electronic motion and molecular vibration
β Scribed by Akitomo Tachibana; Tokio Yamabe; Kenzi Hori; Yoshihiro Asai
- Publisher
- Elsevier Science
- Year
- 1984
- Tongue
- English
- Weight
- 419 KB
- Volume
- 106
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
β¦ Synopsis
A general dyrwnic equation for an electron orbital is formulated for the dynamic study of electronic motion coupled with molecular vibration
A remarkable '"additive'" property of a normal vibration on the dynamic electronic structure is found and is demons~at~ kor the H2 and cyclic CsH$ systems.
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