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Configuration-average energy shift owing to configuration interaction

โœ Scribed by Oreg, J.; Goldstein, W.; Bar-Shalom, A.; Klapisch, M.

Book ID
111958753
Publisher
The American Physical Society
Year
1989
Tongue
English
Weight
485 KB
Volume
39
Category
Article
ISSN
1050-2947

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๐Ÿ“œ SIMILAR VOLUMES

Calculation of NMR chemical shifts. III.
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โœ H. Fukui ๐Ÿ“‚ Article ๐Ÿ“… 1983 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 226 KB

## Abstract The theory for nuclear shielding including electron correlation effect is derived and applied to the hydrogen fluoride molecule. It is shown that about 20% of the paramagnetic contribution to nuclear shielding at nucleus F is due to electron correlation. Inclusion of electron correlatio