## Photoionization, X-ray emission and UV excitation energies are calculated for SiOa by the SCF Xcc method and the transition-state procedure. In all cases agreement between calculation and experiment is good. The SiOz-cluster is found to be adequntc for describing localized excitations in quartz
Ligand field transitions in PtCl2−4 calculated by the SCF Xα scattered-wave method
✍ Scribed by R.P. Messmer; U. Wahlgren; K.H. Johnson
- Publisher
- Elsevier Science
- Year
- 1973
- Tongue
- English
- Weight
- 328 KB
- Volume
- 18
- Category
- Article
- ISSN
- 0009-2614
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✦ Synopsis
The SCF Xa SW method can be used to obtain uniquely all the multiplets arising from the did transitions in the square planar metal complex PtCI*-4 . The agreement with the expcrimcntzl absorption spectrum and the singlet transition assignments in the region = 3.0-4.5 eV is exccllcnt.
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