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All-electron CI calculations for core-ionized, core-valence excited and shake-up states of N2

✍ Scribed by Werner Butscher; Robert J. Buenker; Sigrid D. Peyerimhoff

Publisher: Elsevier Science
Year: 1977
Tongue: English
Weight: 902 KB
Volume: 52
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(77)80484-3

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Full CI calculations are performed for ionized states, electronattached states and triplet excited states of HzO. The calcularions are compared with our recently developed SAC CI results. The trends of the results are found to be encoura\_ging.