A calculation of the optical and X-ray photoemission transitions of K2PtCI4
| Autor: | R. P. Messmer |
|---|---|
| Rok vydání: | 2009 |
| Předmět: |
Chemistry
Inverse photoemission spectroscopy Angle-resolved photoemission spectroscopy Condensed Matter Physics Atomic and Molecular Physics and Optics X-ray photoelectron spectroscopy Excited state Condensed Matter::Strongly Correlated Electrons Singlet state Physical and Theoretical Chemistry Ionization energy Atomic physics Ground state Excitation |
| Zdroj: | International Journal of Quantum Chemistry. 7:371-376 |
| ISSN: | 1097-461X 0020-7608 |
| DOI: | 10.1002/qua.560070745 |
| Popis: | The self–consistent–field–Xa scattered–wave (scF–Xa–sw) method can be used in conjunction with the transition–state concept to obtain the excitation energies for transitions between the ground state and various singlet and triplet excited states of square planar metal complexes. The results of such calculations for PtCI4− are presented as well as a comparison between calculated ionization energies and recent X–ray photoemission (xps or esca) data for this system. |
| Databáze: | OpenAIRE |
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