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The calculation of molecular and cluster auger spectra

โœ Scribed by Dwight R. Jennison

Publisher
Elsevier Science
Year
1980
Tongue
English
Weight
549 KB
Volume
69
Category
Article
ISSN
0009-2614

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โœฆ Synopsis

The work of Asaad and Burhop and of Shirley on atoms is shown to form the basis of a useful theory for the xE?.!Yds of molecular core-valence-valence Auger spectra. if the static relaxation term of Shirley is neglected, the theory requires O~IY a single SCF calculation on the neutral molecule. Smce this approumation seems justified for the class of itinerant holes, the theory not only permlts the interpretation of the spectra of molecules considerably larger than previously analyzed, but potentlally the spectra of chemlsorbed molecules from cluster calculations. Theory and experiment are compared for the carbon KW spectra of CH4, CzH2. C2H4 and CHZJOH

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