✦ LIBER ✦
Theoretical Auger energies using a frozen orbital approximation: The S(2p → mm′) and O(1s → mm′) Auger spectrum of SO2
✍ Scribed by M.A. Robb; G. Theodorakopoulos; I.G. Csizmadia
- Publisher
- Elsevier Science
- Year
- 1978
- Tongue
- English
- Weight
- 462 KB
- Volume
- 57
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
✦ Synopsis
A frozen orbital approximation (the parent orbital configuration interaction method) for calculations cn double hole states of moIecuIes gives similar assignments of ffie Auger spectra of Ha0 and H2S as SCF calculations. The POCI method is used to calculate the double valence holes of SO, and assign the S(2p -, mm') and O(ls + mm') Auger spectra of SO2. While for Hz0 and H2S the relaxation energy is much larger than tie contribution due to double hole confiition interaction, for SO, the two contributions are of similar magnitude_