The method of diatomics-in-molecules (DIM) which constructs the hamiltonian matrix semi-empirically from known atomic and diatomic fragment energy data, is used to generate approximate 3D potential energy hypersurfaces and nonadiabatic coupling coefficients for the system (HeHH) +. To reduce the siz
Surface potential and energy-coupling in bioenergy-conserving membrane systems
β Scribed by Montal, M. ;Gitler, C.
- Publisher
- Springer-Verlag
- Year
- 1973
- Weight
- 967 KB
- Volume
- 4
- Category
- Article
- ISSN
- 0449-5705
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π SIMILAR VOLUMES
different viewpoints of possible intersections between potential energy surfaces of the same symmetry for'polyatomic syitems zre considered nnd extended to the general franleworkof complex nuclcur coordinates. The results of ab '. initio calculations for complex nuclear coordinates yield a surface
## Abstract The adiabatic potential energy surfaces (PES) which are most likely to be involved in the elementary mechanism presiding over chargeβexchange and direct inelastic collisions between O~2~ molecules and collimated beams of protons are discussed. The general behavior of Diatomicsβinβmolecu