✦ LIBER ✦
Extended wave packet dynamics; exact solution for collinear atom, diatomic molecule scattering
✍ Scribed by R.D. Coalson; M. Karplus
- Publisher
- Elsevier Science
- Year
- 1982
- Tongue
- English
- Weight
- 409 KB
- Volume
- 90
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
✦ Synopsis
The sern~classxd wave packet dynamics method of Heller is extended lo provldc a formally exact theory of quantum mechamlcal motion for multirhmens~onJ anharmomc systems by mtroducmg a compleIe. orthonormal. tlmedependent basis of generahzed oscdlator functions. The exact wavefuncuon IS expressed m terms of lhls bssls and lhc c\psnsions arc shown to develop accordmg Lo hnw, coupled fist-order dIfferenthI equauons. Apphcation to colhnezu mclasw ~lomdiatomlc molecule scaMering demonstrales the feasibility and convergence oi the new method.