Calculation of equivalent local potentials and an investigation of their l-dependence
β Scribed by H. Fiedeldey
- Publisher
- Elsevier Science
- Year
- 1967
- Tongue
- English
- Weight
- 469 KB
- Volume
- 96
- Category
- Article
- ISSN
- 0375-9474
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π SIMILAR VOLUMES
The transformation of the radial Schrodinger equation for a nonlocal potential to the radial Schrodinger equation for a local potential is investigated. Previous work is clarified and extended to complex values of the wave number. For the purpose of establishing a correspondence between the properti
## Abstract For Abstract see ChemInform Abstract in Full Text.
The gas-phase protonation mechanism of ferrocene is investigated using an effective potential describing electrostatic, polarization and short-range repulsion energy components. The parameters of the potential are deduced from a least-squares tit to energy profiles calculated using local-spin densit