On the photoelectron spectra of HCP and FCP: A green's function study

✍ Scribed by R. Cambi; W. Von Niessen

• Publisher: Elsevier Science
• Year: 1983
• Tongue: English
• Weight: 580 KB
• Volume: 101
• Category: Article
• ISSN: 0009-2614
• DOI: 10.1016/0009-2614(83)87505-8

✦ Synopsis

The vertical v.knce ionization potentials of HCP and FCP are calculated by many-body methods based upon the Green's function theory. The results are compared 11 ith the available experimental PES results for HCP and agreement is good (errors less rhan 0.2 cV). Good agreement is also espected for FCP. Electron ejection from the lrr and 30 orbitals of HCP and from the In. 40 and lx orbitals of FCP can be described by a one-particle model. For both molecules. the spectrum in the inner-valence region is calculated. The 20 and 1 o bands of HCP and the 30 and 20 bands of FCP are split essentially into IWO or three major components due to many-body effects, whereas the 1 D band of FCP is split into a multitude of lines. Comparison with the case of HCN/FCN is made.