## Quantum-mechanical nonreactive and reactive scattering probab$ti<s determined by two independent numerical methods for the collinear H + H2 reaction on a realistic potent&l-energy surface are iri very goad agreement. The results,therefore provide a reliable touchstone far other independent calc
Invariant imbedding as a basis for the solution of quantum mechanical problems
โ Scribed by Hugh A Davies; Eugene D Denman
- Publisher
- Elsevier Science
- Year
- 1967
- Tongue
- English
- Weight
- 298 KB
- Volume
- 19
- Category
- Article
- ISSN
- 0022-247X
No coin nor oath required. For personal study only.
๐ SIMILAR VOLUMES
## Abstract The PUPIL system is a combination of software and protocols for the systematic linkage and interoperation of molecular dynamics and quantum mechanics codes to perform QM/MD (sometimes called QM/MM) calculations. The Gaussian03 and Amber packages were added to the PUPIL suite recently. H
A general formulation for discrete-time quantum mechanics, based on Feynman's method in ordinary quantum mechanics, is presented. It is shown that the ambiguities present in ordinary quantum mechanics (due to noncommutativity of the operators), are no longer present here. Then the criteria for the u