Quantum dynamics in classically integrable and non-integrable regions
β Scribed by Michael J. Davis; Ellen B. Stechel; Eric J. Heller
- Publisher
- Elsevier Science
- Year
- 1980
- Tongue
- English
- Weight
- 419 KB
- Volume
- 76
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
An explicit and symplectic integrator called PICKABACK for quantum-classical molecular dynamics is presented. The integration scheme is time reversible and unitary in the quantum part. We use the Lie formalism in order to construct a formal evolution operator which is split by the Strang splitting y
The quantum path integral molecular dynamics method was applied to studies of excess electron localization by a Na+ ion and by a NaCl molecule. Spatial and energetic characterization of the ground state of the excess electron compare favorably with results of model potential calculations for Na and