VALENCE CORRELATION EFFECTS IN THE CORE IONIZATION OF MOLECULESReportar como inadecuado




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Abstract : Correlation effects associated with excitations within the valence shell, and the coupling with single excitations in the virtual space, are examined by CI calculations with virtual orbitals defined by a projection or the IVO scheme. A reasonable description is obtained by a minimal model combining double excitations in the valence with single excitations in the virtual space.





Autor: A. Lisini P. Decleva

Fuente: https://hal.archives-ouvertes.fr/



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