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Many-body calculation of autoionization rates in atoms and molecules

L Veseth

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A method to make ab initio predictions of electronic autoionization rates in atoms and molecules by use of many-body theory in the discrete basis set approximation is presented. The method is applied to the autoionizing states and in He and Ne, respectively, and to the state in the HF molecule. The many-body expansion is carried through the third order in the electronic interaction, which means that the leading correlation terms are included. Correlation effects were found to be important in all the three cases investigated, and very good agreement with experiment was obtained for He and Ne where experimental values are available.


PACS

32.80.Zb Autoionization

33.80.Eh Autoionization, photoionization, and photodetachment

31.15.A- Ab initio calculations

Subjects

Atomic and molecular physics

Computational physics

Dates

Issue 5 (14 March 1996)

Received 25 September 1995



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