[Ifeffit] Hephaestus: Absorption Data Source
daniel.przyrembel at fu-berlin.de
Mon Nov 13 10:15:14 CST 2017
That's somehow reassuring.
Still I can't see any reference to 'Keski-Rahkonen and Krause' in
Hephaestus on my install (0.9.25 on Windows):
Help -> Document takes me to an HTML document,
that does not mention any reference(s) for lifetimes. Maybe that is an
omission in my version of the program?!
The other reference you mentioned (Krause and Oliver) I have found as
well, but, alas, it only lists K and L levels and, yes, I wondered about
Krause not mentioning his own work, too.
In general it seems to be tedious/difficult to find core-hole lifetimes,
let alone tabulated values for a broad range of elements and their core
levels. That's why I am/was so keen on finding the source(s) used in
Hephaestus. Especially as I would love to know whether it's experimental
or theory values. In the latter case one would necessarily want to know
how they were calculated in the former how they were determined...
I'll keep looking around (& through the works cited by 'Krause and
> The documentation for Hephaestus lists the same paper as you indicated.
> (Access by going to Help-Document in Heph.)
> Another reference with values tabulated is:
> Natural widths of atomic K and L levels, Kα X‐ray lines and several KLL
> Auger lines
> Journal of Physical and Chemical Reference Data 8, 329 (1979);
> M. O. Krause and J. H. Oliver
> But I have noticed the values differ between that work and those in
> Heph/earlier work.
> Krause and Oliver did not even cite that earlier work.
> On 11/12/2017 1:28 PM, Daniel Przyrembel wrote:
>> Dear All
>> This might be a stupid question, but I have not been able to track this
>> down myself:
>> What is the data source of the "core-hole lifetimes" (i.e. the energy
>> widths "gamma(ch)" in eV) of the "Absorption edges" in the "Absorption"
>> panel of Hephaestus?
>> As far as I could see these lifetimes/widths are not given in the 'Elam
>> database'. Other XAS data tools based on the Elam database (like e.g.
>> 'XrayDB') claim to be using values from 'O. Keski-Rahkonen and M. O.
>> Krause, Atomic Data and Nuclear Data Tables 14, pp139-146 (1974)
>> (http://dx.doi.org/10.1016/S0092-640X(74)80020-3)' for this. Because
>> reference does not give tabulated values but rough data plots only, it
>> difficult to compare those with the values in Hephaestus.
>> If someone knows the respective data source used in Hephaestus, the
>> answer/information is deeply appreciated!
>> Best regards
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