On the construction of an efficient basis for CI calculations: application to a spin forbidden transition in P II
- 14 March 1993
- journal article
- Published by IOP Publishing in Journal of Physics B: Atomic, Molecular and Optical Physics
- Vol. 26 (5) , 863-871
- https://doi.org/10.1088/0953-4075/26/5/010
Abstract
In the calculation of atomic structure using the configuration interaction (CI) approach, very large numbers of terms may be present in important mixing configurations. This causes computational difficulties in, for example, the non-relativistic calculation of low-lying terms in the transition elements which may be serious enough to prohibit or seriously limit investigation of these ions. A method is presented which allows one to proceed in a sequence of progressively more complicated CI calculations while retaining only a relatively small number of terms with little attendant loss in accuracy. The method is demonstrated in a calculation on the simpler ion, P II. Values for the lifetime for the 3s3p3 5S20 level are obtained both in a full relativistic calculation and in a relativistic calculation based on a 'progressive reduction of terms' in preliminary non-relativistic calculations. Sources and magnitudes of errors in the calculation are discussed. The full calculation result of 178 mu s for the lifetime of this level is in good agreement with a recent experimental value of 167+or-12 mu s.Keywords
This publication has 9 references indexed in Scilit:
- Radiative lifetime of the 3s3p35S20state of P IIJournal of Physics B: Atomic, Molecular and Optical Physics, 1993
- Radiative lifetime of the 3s3) metastable level ofPhysical Review A, 1992
- An efficient method for computing relativistic mixing in complex spectra: application to sextet-quartet mixing in Cr IIJournal of Physics B: Atomic, Molecular and Optical Physics, 1990
- Transitions in P IIPhysica Scripta, 1988
- Energy-level scheme and transition probabilities of Si-like ionsAtomic Data and Nuclear Data Tables, 1985
- The 3s3p35SoLevel in the Silicon Isoelectronic SequencePhysica Scripta, 1984
- The 2s3p3P1-2s21S0intercombination line in the beryllium sequenceJournal of Physics B: Atomic and Molecular Physics, 1979
- A multi-configuration optimised central potential method for atomic structure calculations: application to carbonJournal of Physics B: Atomic and Molecular Physics, 1979
- Techniques for the calculation of atomic structures and radiative data including relativistic correctionsComputer Physics Communications, 1974