On the dependence of correlation and relativity: The electron affinity of the copper atom

A one-component spin-free no-pair Hamiltonian has been utilized to 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...

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Bibliographic Details
Published in:Chemical physics letters 1990-10, Vol.173 (2), p.175-180
Main Author: Marian, C.M.
Format: Article
Language:English
Subjects:
Atomic and molecular physics
Corrections to electronic structure
Electronic structure of atoms, molecules and their ions: theory
Exact sciences and technology
Physics
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Summary:A one-component spin-free no-pair Hamiltonian has been utilized to 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.
ISSN:0009-2614
1873-4448
DOI:10.1016/0009-2614(90)80073-M