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Автор L LaJohn
Автор T M Luke
Дата выпуска 1993-03-14
dc.description 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 3s3p<sup>3</sup> <sup>5</sup>S<sub>2</sub><sup>0</sup> 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.
Формат application.pdf
Издатель Institute of Physics Publishing
Название On the construction of an efficient basis for CI calculations: application to a spin forbidden transition in P II
Тип paper
DOI 10.1088/0953-4075/26/5/010
Electronic ISSN 1361-6455
Print ISSN 0953-4075
Журнал Journal of Physics B: Atomic, Molecular and Optical Physics
Том 26
Первая страница 863
Последняя страница 871
Аффилиация L LaJohn; Dept. of Appl. Math., Western Ontario Univ., London, Ont., Canada
Аффилиация T M Luke; Dept. of Appl. Math., Western Ontario Univ., London, Ont., Canada
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