Non-adiabatic effects in ion/molecule reactions
β Scribed by Artur Ratkiewicz; Jan Niedzielski; Jan Turulski
- Publisher
- Elsevier Science
- Year
- 1995
- Tongue
- English
- Weight
- 545 KB
- Volume
- 142
- Category
- Article
- ISSN
- 0168-1176
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π SIMILAR VOLUMES
A new method for the description of non-adiabatnc erfecfi in lou-energy rcsonanl rleclron sca~rcrrng 1s developed. Analylic expressions Tar the elasric and inelastic cross seclions are oblamed wIthin the framework of the oscillalor model The possibilities of the method are illuslrared for resonanl e
It is shown that the generator coordinate approximation introduces non-adiabatic effects of the correct sign (ener,g lowerinrz) and size (Born-Oppenheimer analysis)\_ The theoretical expression applied to diatomic molecules qualitatively explains the observed trends of non-adiabatic energy correctio
Non-adiabatic corrections for HD+ are estimated by transforming the Hamiltonian to give an effective electrostatic potential that may be interpreted in terms of effective nuclear charges. The results compare well with previous work, particularly at large bond lengths.