The theory of low-energy eIectron--molecule scattering by T-mat&x expzmston in A2 basis orbitak is gerxeraEzed to in-&de coupling with molectdaz vibration. A mixed basis set of scatteredelectron orbit& and vibrational functians is used. The resuSting integrals are shown to be ordy mar@naEy more diff
Discrete basis set approach to nonspherical scattering
β Scribed by T.N. Rescigno; C.W. McCurdy; V. McKoy
- Publisher
- Elsevier Science
- Year
- 1974
- Tongue
- English
- Weight
- 272 KB
- Volume
- 27
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
The problem of how to calculate the electrostatic interactions between molecules and a solvent is a very important one in theoretical chemistry and biophysics. One of the more commonly used methods has been to represent the solvent by Ε½ . a dielectric continuum and then to solve the Poisson or the P
A variational procedure without the need of using L\* basis set expansion or trial wave functions is introduced for efficient and accurate treatment of relativistic quantum-mechanical eigenvalue problems. The method, ba>ed on the extension of the Fouriergrid Hamiltonian technique, is free from the p
A new approach to best-basis selection for a set of signals, enabling significant and uniform data compression in the time-frequency domain, is proposed. The high degree of data compression can be used as the first step of fast approximate principal component analysis (PCA) of data sets with high ra