The electronic non-diagonal Born-Oppenheimer coupling matrix elements between the molecular h?drogen DIE, state and the B' L Zu end B 1Z; u states were calculated in the Hartree-Fock approx-imztion at R= 1.0,1.2,1.6 and 2.0 au. These were used to calculate the predissociation widths for the v = 3 to
Predissociative lifetimes of the 2 3Πg state of the H2 molecule
✍ Scribed by J. Damas; F. Borondo; F. Martín
- Publisher
- Elsevier Science
- Year
- 1994
- Tongue
- English
- Weight
- 487 KB
- Volume
- 226
- Category
- Article
- ISSN
- 0009-2614
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✦ Synopsis
We present a theoretical calculation of predissociation lifetimes for the vibrational levels of the H2 molecule in the 2 311a state. Our results predict that vibrational lifetimes decrease with t, up to u= 8 and then remain practically constant. Agreement with available experimental data is good. Finally, predissoeiation is shown to be much more important than a competing ionization process.
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