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.
On the dependence of correlation and relativity: The electron affinity of the copper atom
โ Scribed by C.M. Marian
- Publisher
- Elsevier Science
- Year
- 1990
- Tongue
- English
- Weight
- 495 KB
- Volume
- 173
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
โฆ Synopsis
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 small but tend to increase the electron affinity of Cu.
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