| Autor: |
Kozlov, M. G. |
| Předmět: |
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| Zdroj: |
International Journal of Quantum Chemistry; 2004, Vol. 100 Issue 4, p336-342, 7p |
| Abstrakt: |
We discuss the possibility of using pair equations for the construction of the effective Hamiltonian Heff for valence electrons of an atom. The low‐energy part of atomic spectrum is found by solving the eigenvalue problem for Heff. In this way it is possible to account efficiently for the valence–valence and core–valence correlations. We tested this method on a toy model of a four‐electron atom with the core 1s2. The spectrum obtained with Heff for two valence electrons is in perfect agreement with the full configuration interaction for all four electrons. © 2004 Wiley Periodicals, Inc. Int J Quantum Chem, 2004 [ABSTRACT FROM AUTHOR] |
| Databáze: |
Complementary Index |
| Externí odkaz: |
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