Analysis of Hyperfine Interactions in Gold, Copper, and Silver Compounds

Shevchenko E. L., Fateyev Aleksandr Vladimirovich, Shults A., Poleshchuk Oleg Khemovich

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The hybrid Baker’s method together with the cor-relative functional by Lee, Young and Parr was used for constants calculation of the quadric field interaction of the compound sets of cooper, silver and gold. The results were compared with the data of microwave spectroscopy in the gas phase. The authors analyzed the quality of calculation with the use of pseudo-potential and widened basis conditions for cooper compounds. On the base of Messebauer spectroscopy and the aforementioned calculation of the input of the atom orbit of gold and the importance of Messenbauer chemical shift

( 8.3 MB ) ( 8.04 MB )

Issue: 6, 2004

Series of issue: Sciences

Rubric: Chemistry

Pages: 23 — 28

Downloads: 969