Dynamical effects in Xray spectra and the finalstate rule
(1982) In Physical Review B (Condensed Matter and Materials Physics) 25(8). p.51505179 Abstract
 The dynamical theory of Xray spectra due to Nozieres and De Dominicis (ND, 1969) is evaluated here numerically for numerous model systems including cases where the corehole potential possesses a bound state. It is shown that the resulting emission spectra obey the finalstate rule rather accurately. An approximate but analytical derivation of this rule is given which provides insight into the mechanisms leading to the finalstate rule. The evaluations are performed with the use of two methods, one based on an integral equation together with a separable corehole potential and the other based on determinantal wave functions for a finite number (N) of electrons in a box. The equivalence of the two methods is demonstrated both formally and... (More)
 The dynamical theory of Xray spectra due to Nozieres and De Dominicis (ND, 1969) is evaluated here numerically for numerous model systems including cases where the corehole potential possesses a bound state. It is shown that the resulting emission spectra obey the finalstate rule rather accurately. An approximate but analytical derivation of this rule is given which provides insight into the mechanisms leading to the finalstate rule. The evaluations are performed with the use of two methods, one based on an integral equation together with a separable corehole potential and the other based on determinantal wave functions for a finite number (N) of electrons in a box. The equivalence of the two methods is demonstrated both formally and numerically. By comparing them the authors prove the finiteN approach to be accurate already for rather small N. They also show that a separable potential does not give rise to any spurious results but can actually be chosen to yield the same ND spectrum as a local potential. The ND theory of Xray photoemission spectra is discussed and from calculations of the exponent function α(ω) for several model systems closely corresponding to simple metals the authors conclude the equivalence of this theory and its asymptotic approximation as far as the extraction of asymmetry indices is concerned. Recent criticism of the major conclusions reached here and in previous work is refuted.(61 refs) (Less)
Please use this url to cite or link to this publication:
http://lup.lub.lu.se/record/8831987
 author
 von Barth, Ulf ^{LU} and Grossmann, Günter ^{LU}
 organization
 publishing date
 1982
 type
 Contribution to journal
 publication status
 published
 subject
 in
 Physical Review B (Condensed Matter and Materials Physics)
 volume
 25
 issue
 8
 pages
 5150  5179
 publisher
 American Physical Society
 external identifiers

 scopus:0000911973
 ISSN
 10980121
 DOI
 10.1103/PhysRevB.25.5150
 language
 English
 LU publication?
 yes
 id
 b4787fc9d75d4c96ac4f90bdaa92ee7b (old id 8831987)
 date added to LUP
 20160304 09:46:07
 date last changed
 20170226 04:27:47
@article{b4787fc9d75d4c96ac4f90bdaa92ee7b, abstract = {The dynamical theory of Xray spectra due to Nozieres and De Dominicis (ND, 1969) is evaluated here numerically for numerous model systems including cases where the corehole potential possesses a bound state. It is shown that the resulting emission spectra obey the finalstate rule rather accurately. An approximate but analytical derivation of this rule is given which provides insight into the mechanisms leading to the finalstate rule. The evaluations are performed with the use of two methods, one based on an integral equation together with a separable corehole potential and the other based on determinantal wave functions for a finite number (N) of electrons in a box. The equivalence of the two methods is demonstrated both formally and numerically. By comparing them the authors prove the finiteN approach to be accurate already for rather small N. They also show that a separable potential does not give rise to any spurious results but can actually be chosen to yield the same ND spectrum as a local potential. The ND theory of Xray photoemission spectra is discussed and from calculations of the exponent function α(ω) for several model systems closely corresponding to simple metals the authors conclude the equivalence of this theory and its asymptotic approximation as far as the extraction of asymmetry indices is concerned. Recent criticism of the major conclusions reached here and in previous work is refuted.(61 refs)}, author = {von Barth, Ulf and Grossmann, Günter}, issn = {10980121}, language = {eng}, number = {8}, pages = {51505179}, publisher = {American Physical Society}, series = {Physical Review B (Condensed Matter and Materials Physics)}, title = {Dynamical effects in Xray spectra and the finalstate rule}, url = {http://dx.doi.org/10.1103/PhysRevB.25.5150}, volume = {25}, year = {1982}, }