The diffusion process of a hydrogen atom on the amorphous water ice Ε½ . surface was investigated under very low temperature conditions 10 and 70 K using both classical and quantum approaches. The model amorphous water ice slab was Ε½ . prepared by the classical molecular dynamics MD simulation under
On the choice of gauge for approximate quantum mechanical wavefunctions
β Scribed by Robert Yaris
- Publisher
- Elsevier Science
- Year
- 1976
- Tongue
- English
- Weight
- 359 KB
- Volume
- 38
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
An approximate method of Sakimoto and Onda for deriving the Smatrix elements for dissociative collisions in collinear atom-diatom reactive systems, which provided accurate total dissociation probabilities, has been tested further. To do this, kinetic energy distributions of atomic products have been
We discuss a new quantum-mechanical approximation to calculate atom-diatom exchange state-to-state cross sections. The method is based on the coupling of the jz approximation with negative imaginary potentials (NIPS). The NIPS produce absorbing boundary conditions which permit the application of L2
An error was detected in fig. where quantum-mechanical cross sections were compared with quasi-classical trajectory ones. The quasi-classical results were cited from ref. [ 1 ] and not from the one specified in the publication.
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