✦ LIBER ✦

Hartree-fock transition theory and multi-electron transitions in atoms and molecules

✍ Scribed by C.A. Nicolaides

Publisher: Elsevier Science
Year: 1983
Tongue: English
Weight: 641 KB
Volume: 101
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(83)87509-5

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✦ Synopsis

W&ieIectron tnnsitions cau be induced via electron correlation. However, in many cases, such transItIons can atso be understood in terms of orbitaI relaxation and their probabiIity can be estimated from theAWe&on Hartree-Fock theory of transitions. Thus, even when complex aIgorIthms, like the RPA, fait. heuristic as well as semiquantitative predictions on the dynamics of transitions can often be made based on true Hartree-Fock functions ordy. The present point of view is supported by numerical results for a variety of cases, including the first prediction for He-ls2s2p 4Po double photoionization into the 4P channel.

' Here. it should be pointed out that, even for multiply excited states in neutral or negative ions, it has been shown 128.29, 321 that HF or hfCHF theory is applicable, but good congergence is difficult to achieve.

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