Core–valence correlation effects using approximate operators
- 15 February 1991
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 94 (4), 2968-2976
- https://doi.org/10.1063/1.459820
Abstract
The effects of core and core–valence correlation on the properties of several Cu containing compounds (Cu atom, CuH, CuF, and Cu2) are investigated using both model operator techniques and CI including core–core and core–valence correlation. Good agreement is found for all properties studied. The effects of core‐correlation and different aspects of the model operator method are analyzed in detail.Keywords
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