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On correlation treatments of the nickel atom

✍ Scribed by Celeste McMichael Rohlfing; Richard L. Martin

Publisher: Elsevier Science
Year: 1985
Tongue: English
Weight: 385 KB
Volume: 115
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(85)80111-1

No coin nor oath required. For personal study only.

✦ Synopsis

Uoller-PIesset periurbatron theory to finite order In ail terms (MPil(SDTQ)) and to rnfinlre order in selecred terms (CCD) LS used IO exanune the Importance of higher-order excIIaUons In correlarlon treatments of the mclel atom Allowing Tar relatwwrc effects, good agreement wth expenmem 1s achieved for the 'F-'D spllttmg but not for Ihe 'IF-'S s.eparaIlon The MP perlurbation expansion etib1t.s slow wnvergence for the ruckel a:om, and suggests that the coupled cluster (CC) techmque wll be necessary IO obian a balanced descnptlon of zhe alormc stales

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