Vijayakumar, M. ; Gopinathan, M. S. (1995) Study of the importance of relativistic, correlation, and relaxation effects on ionization energy of atoms by a relativistic and correlated local density method Journal of Chemical Physics, 103 (15). pp. 6576-6580. ISSN 0021-9606
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Official URL: http://jcp.aip.org/resource/1/jcpsa6/v103/i15/p657...
Related URL: http://dx.doi.org/10.1063/1.470385
Abstract
The effect of relativistic corrections, correlation, and relaxation on the ionization energy of inner and outer orbitals of light and heavy atoms has been studied using the "fully" correlated relativistic local density method-called the RC≡ method. The validity of Koopmans' theorem is also discussed in this paper.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to American Institute of Physics. |
| Keywords: | Atom Collisions; Relativistic Corrections; Shells; Eigenvalues; Electron Correlation; Hartree-fock Method; Inner-shell Ionization; Ionization Potential; Quantum Electrodynamics; Relaxation |
| ID Code: | 15342 |
| Deposited On: | 13 Nov 2010 12:54 |
| Last Modified: | 02 Jun 2011 06:43 |
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