A one-component spin-free no-pair Hamiltonian has been utilized IO study the influence of relativistic effects on the electron affinity of the copper atom. The calculations show that relativistic and correlation contributions are not independent. Differential relativistic effects are found to be sma
On the electron affinity of Cu atom
โ Scribed by Charles W. Bauschlicher Jr.; Stephen P. Walch; Harry Partridge
- Publisher
- Elsevier Science
- Year
- 1984
- Tongue
- English
- Weight
- 397 KB
- Volume
- 103
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
โฆ Synopsis
The electron affinity (EA) of the Cu atom IS computed uung large ST0 and CT0 basss sets at several levels of correhfion The best computed value IS 1 00 eV compared with the expenmentalvalue of 1.326 eV Rehtlvlstrc effects shghtlh decresse the EA.
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