Chaudhury, Pinaki ; Bhattacharyya, S. P. (1999) Bound states in screened and bare Coulomb potentials: a nonorthogonal Cl-based route to effective Hamiltonians for two-electron systems International Journal of Quantum Chemistry, 74 (2). pp. 153-161. ISSN 0020-7608
Full text not available from this repository.
Official URL: http://www3.interscience.wiley.com/journal/6200336...
Related URL: http://dx.doi.org/10.1002/(SICI)1097-461X(1999)74:2<153::AID-QUA12>3.0.CO;2-8
Abstract
One- and two-electron bound states in screened and bare Coulomb potentials are calculated by adopting a discretized multiconfiguration generator coordinate (GC) method which leads to an iterative nonorthogonal configuration interaction procedure with the optimization of GCs. The GCs are optimized either by the method of simulated annealing or by a genetic algorithm. Critical scanning lengths for which bound states disappear in one-electron atoms are computed. A noninteracting model Hamiltonian for a two-electron atom based on the idea of screened Coulomb interaction is proposed and used for calculating electric dipole polarizability and establishing the threshold value of z for the appearance of autoionizing ground state of two-electron systems.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to John Wiley and Sons, Inc. |
| Keywords: | Nonorthogonal Cl; Discretized Generator Coordinate Method; Genetic Algorithm And Electronic Structure; Effective Hamiltonian For 2-electron Atoms; Critical Z For Two-electron Bound States |
| ID Code: | 3125 |
| Deposited On: | 09 Oct 2010 10:25 |
| Last Modified: | 20 May 2011 08:46 |
Repository Staff Only: item control page
