Relativistic configuration-interaction results for [Formula Presented], [Formula Presented], [Formula Presented], and [Formula Presented] “[Formula Presented]” [Formula Presented] to [Formula Presented] energy differences

Document Type

Article

Publication Date

1-1-1997

Abstract

Errors in relativistic correlated ab initio results for the “[Formula Presented]” [Formula Presented] to [Formula Presented] [Formula Presented] transition, which is nearly constant with [Formula Presented], have been reduced from 5% to 1.5% (400 [Formula Presented], on average. Beyond the Dirac-Coulomb level, the principal contributions are from the magnetic operator and certain [Formula Presented] single and double excitations (correlation effects). © 1997 The American Physical Society.

Publication Title

Physical Review A - Atomic, Molecular, and Optical Physics

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