Concerning the atomic one-electron model hamiltonians of which Slater-type orbitals are eigenfunctions
Description
The well-known nodeless Slater-type orbitals are exact eigenfunctions of the atomic one-electron model hamiltonian with model potential Vsub(M) = (-α/r) + [n(n-1)-l(l+1)]/2r2, and eigenvalue Esub(M) = -(α/n)2/2. This potential is discussed, with examples, for two possible choices of the parameters α and n, for a given Esub(M). If n is chosen as the usual integral quantum number, α is larger than the net core charge Zsub(c), and the potential does not have the correct asymptotic behaviour, remaining too attractive well outside the core. If α = Zsub(c) is chosen, the potential is equivalent to the potential recently discussed by Simons. n is no longer an integer, and the potential is too repulsive in regions well outside the core. Comments on these and related potentials, and their uses, are presented. (Auth.)
Additional details
Identifiers
Publishing Information
- Journal Title
- Chemical Physics Letters
- Journal Volume
- 43
- Journal Issue
- 2
- Series
- Chem. Phys. Lett.
- Journal Page Range
- 291-294
- ISSN
- 0009-2614
INIS
- Country of Publication
- Netherlands
- Country of Input or Organization
- Netherlands
- INIS RN
- 8284758
- Subject category
- S74: ATOMIC AND MOLECULAR PHYSICS;
- Descriptors DEI
- ANGULAR MOMENTUM; ATOMIC MODELS; EIGENFUNCTIONS; EIGENVALUES; HAMILTONIANS; QUANTUM NUMBERS; SCHROEDINGER EQUATION; SLATER METHOD
- Descriptors DEC
- DIFFERENTIAL EQUATIONS; EQUATIONS; FUNCTIONS; MATHEMATICAL MODELS; MATHEMATICAL OPERATORS; QUANTUM OPERATORS
Optional Information
- Notes
- Updated automatically by Metadata and Full-Text Enrichment Agent