Additions and corrections: Comments on Koopmans' Theorem and electron relaxation with valence ionization

1980 ◽  
Vol 19 (11) ◽  
pp. 3552-3552
Author(s):  
David C. Calabro ◽  
Dennis L. Lichtenberger
1980 ◽  
Vol 19 (6) ◽  
pp. 1732-1734 ◽  
Author(s):  
David C. Calabro ◽  
Dennis L. Lichtenberger

Author(s):  
A. M. Bradshaw

X-ray photoelectron spectroscopy (XPS or ESCA) was not developed by Siegbahn and co-workers as a surface analytical technique, but rather as a general probe of electronic structure and chemical reactivity. The method is based on the phenomenon of photoionisation: The absorption of monochromatic radiation in the target material (free atoms, molecules, solids or liquids) causes electrons to be injected into the vacuum continuum. Pseudo-monochromatic laboratory light sources (e.g. AlKα) have mostly been used hitherto for this excitation; in recent years synchrotron radiation has become increasingly important. A kinetic energy analysis of the so-called photoelectrons gives rise to a spectrum which consists of a series of lines corresponding to each discrete core and valence level of the system. The measured binding energy, EB, given by EB = hv−EK, where EK is the kineticenergy relative to the vacuum level, may be equated with the orbital energy derived from a Hartree-Fock SCF calculation of the system under consideration (Koopmans theorem).


2007 ◽  
Vol 126 (23) ◽  
pp. 234707 ◽  
Author(s):  
Ádám Madarász ◽  
Peter J. Rossky ◽  
László Turi

2000 ◽  
Vol 62 (15) ◽  
pp. 10318-10323 ◽  
Author(s):  
S. Stagira ◽  
M. Nisoli ◽  
S. De Silvestri ◽  
P. Tognini ◽  
A. Stella ◽  
...  

1960 ◽  
Vol 33 (3) ◽  
pp. 946-947 ◽  
Author(s):  
J. R. Hoyland ◽  
Lionel Goodman

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