Peculiarity of the Dickinson H2+wave function
โ Scribed by Toshikatsu Koga; Hiroaki Sasaki
- Publisher
- Springer
- Year
- 1987
- Tongue
- English
- Weight
- 352 KB
- Volume
- 72
- Category
- Article
- ISSN
- 1432-2234
No coin nor oath required. For personal study only.
๐ SIMILAR VOLUMES
Scattering matrix elements for the collinear Hz(c')+H---,H+Hz(v') reaction are obtained using a recently developed timedependent approach to scattering. The correlation function between reactant channel wave packet and product channel wave packet is used to determine the S-matrix elements. The time
## Abstract Previously determined nonadiabatic wave functions for H~2~^+^ (containing several hundred terms) are analyzed by using natural orbitals. This is the first time that the natural orbital concept has been applied to other than purely electronic wave functions. We find that the natural orbi