Number of the records: 1
Comparative study of electron correlation and relativistic effects in CuF, AgF, and AuF
- Iliaš, Miroslav, 1975- Comparative study of electron correlation and relativistic effects in CuF, AgF, and AuF = Porovnávacia štúdia elektrónovo-korelačných a relativistických efektov v CuF, AgF a AuF / Miroslav Iliaš, Peter Furdík, Miroslav Urban. -- Spectroscopic and electric properties of the series of diatomic molecules FCu, FAg, and FAu are calculated using the coupled cluster CCSD(T) method and considering relativistic effects by the no-pair one-component Douglas−Kroll−Hess approximation.
In The Journal of Physical Chemistry A. -- Washington : The American Chemical Society, 1998. -- ISSN 1089-5639. -- ISSN 1520-5215. -- Vol. 102, no. 27 (1998), pp. 5263-5268
1. electron correlation 2. relativistic effects 3. CuF 4. AgF 5. AuF
I. Furdík, Peter
II. Urban, Miroslav
III. The Journal of Physical Chemistry A. -- Vol. 102, no. 27 (1998), pp. 5263-5268
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BB301
Number of the records: 1