| Numéro |
J. Phys. Colloques
Volume 48, Numéro C9, Décembre 1987
X-Ray and Inner-Shell ProcessesVol. 1 |
|
|---|---|---|
| Page(s) | C9-715 - C9-718 | |
| DOI | https://doi.org/10.1051/jphyscol:19879121 | |
X-Ray and Inner-Shell Processes
Vol. 1
J. Phys. Colloques 48 (1987) C9-715-C9-718
DOI: 10.1051/jphyscol:19879121
Dipartimento di Scienze Chimiche, Università di Trieste, Piazzale Europa 1, I-34127 Trieste, Italy
Vol. 1
J. Phys. Colloques 48 (1987) C9-715-C9-718
DOI: 10.1051/jphyscol:19879121
VALENCE CORRELATION EFFECTS IN THE CORE IONIZATION OF MOLECULES
A. LISINI and P. DECLEVADipartimento di Scienze Chimiche, Università di Trieste, Piazzale Europa 1, I-34127 Trieste, Italy
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.