File: xraydoc.txt

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Edges energies:
Table of Isotopes, CD-ROM, 8th edition, Version 1.0, March 1996
Richard B Firestone
S Y Frank Chu, CD-ROM Editor
Virginia S Shirley, Editor
Wiley-Interscience

Total cross sections, fluorescent yields, jump ratios:
W.T. Elam, B.D. Ravel, J.R. Sieber,"A new database for X-Ray spectroscopic
calculations", Radiation Physics and Chemistry, 63, pp. 121-128, 2002.

Elastic scattering:
D.E. Cullen, J.H. Hubbell, J.H. Kissel, EPDL97: The evaluated photon
library, '97 Version. Lawrence Livermore National Laboratory Report
UCRL-50400, vol. 6 Rev 5.

Inelastic scattering:
J H Hubbell, W J Veigele, E A Briggs, R T Brown, D T Cromer,  and R J
Howerton, "UD  "Atomic form factors, incoherent scattering functions, and
photon  scattering cross sections",  J. Phys. Chem. Ref. Data, Vol. 4, No.
3, pag 471, 1975.

Coster-Kronig transition probability:
X-Ray Fluorescence Cross Sections for K and L X-Rays of the Elements
M.O. Krause, C.W. Nestor, Jr., C.J. Sparks, Jr. and E. Ricci
ORNL-5399, pag 120, 1978

fluor_lines.dat
===============

This x-ray transition table provides the energies (in eV) for K transitions  connecting the K shell (n = 1) to the shells with principal quantum numbers  n = 2 to 4 and L transitions connecting the L1, L2, and L3 shells (n = 2) to the shells with principal quantum numbers n = 3 and 4. The elements covered  include Z = 10, neon to Z = 100, fermium.

 Reference:

 R.D. Deslattes, E.G. Kessler Jr., P. Indelicato, L. de Billy, E. Lindroth,
 J. Anton, J.S. Coursey, D.J. Schwab, K. Olsen, and R.A. Dragoset (2003)
 X-ray Transition Energies (version 1.0).
 [Online] Available:
 http://physics.nist.gov/XrayTrans
 [2003, October 16]. National Institute of
 Standards and Technology, Gaithersburg, MD.

 Originally published as: R.D. Deslattes, E.G. Kessler, Jr., P. Indelicato, L. de Billy, E. Lindroth, and J. Anton, "X-ray transition energies: new approach to a comprehensive evaluation," Rev. Mod. Phys. 75, 35-99 (2003).


 The data in this tabulation corresponds to the experimental values given in table 5 of the cited publication. If the experimental value is not available, it has been substituted by the theoretical value in the same table.

 In addition, values for Z=3-9 for KL3 (Ka1) have been added from:
    X-Ray Data Booklet
    Section 1.2  X-RAY EMISSION ENERGIES
    Jeffrey B. Kortright and Albert C. Thompson
    http://xdb.lbl.gov/Section1/Sec_1-2.html

 Column label:  The x-ray transition in IUPAC Notation

radrate.dat
===========

X-ray emission rates for K and L shells

 The data contained are in tables 13 and 14 of:
  X-Ray Fluorescence Cross Sections for K and L X Rays of the elements
  M. O. Krause, C. W. Nestor, C. J. Sparks and E. Ricci
  ORNL-5399 (1978)

  which cites:
     [4] J.H. Scofield, Phys. Rev. A 9, 1041 (1974)
     [5] J.H. Scofield, Phys. Rev. A 10, 1507 (1974)
     [6] J.H. Scofield, Phys. Rev. A 12, 345 (1975)
     [7] J.H. Scofield, in ATomic Intershell Processes, B, Crasemann,Ed.
         vol. 1, Academic Press, 1975, chap. 6.
     [8] Values for elements not listed in refs. 4-7 were interpolated
         with the aid of Scofield's relativistic Hartree-Slater predictions [At. Data Nucl. Data Tables 14, 121 (1974)]


 Labels are in iupac notation. Only radiation rates affecting single transition (not blended lines, ie. L1L23, L1O23 and L3N45 are present in Krause but they are not included in our tabulation) are used:


          iupac     siegbahn
   K-shell:
          KL3     Ka1
          KL2     Ka2   (calculated as KL23-KL3 in the tables)
          KM3     Kb1
          KM2     Kb3   (calculated as KM23-KM3 in the tables)
   L-shell:
          L3M5     La1
          L2M4     Lb1
          L1M3     Lb3
          L2N4     Lg1
          L3M1     Ll

fi.dat
======

Anomalous scattering factor fi.
 
Taken from D.E. Cullen, J.H. Hubbell, J.H. Kissel, EPDL97: The evaluated photon
library, '97 Version. Lawrence Livermore National Laboratory Report
UCRL-50400, vol. 6 Rev 5.

kissel_pe.dat
=============

Partial and Total Photoelectric cross sections.

 This data set contains data calculated by Lynn Kissel
 (lkissel@llnl.gov). The original data is available from
 ftp://www-phys.llnl.gov/rayleigh
 and an interactive WWW interface is in 
 http://www-phys.llnl.gov/V_Div/scattering/elastic.html

  For more information consult the references mentioned in the previous
  paragraph.

Refractive indices
==================

The real (1-delta) and imaginary (beta) part of the refractive indices are calculated according to the formulas that can be found for example in the PhD thesises of Peter Cloetens, Carsten Raven and Timm Weitkamp 

Compton profiles
================

Calculated by Biggs et al: Hartree-Fock Compton profiles for the elements
Atomic Data and Nuclear Data Tables 16, 201-309 (1975)

Taken from the LSCAT extension to the EGS4 program from Namito et al

Atomic level widths
===================

The data contained within atomiclevelswidth.dat were obtained from Campbell and Papp's paper "Widths of the atomic K-N7 levels", Atomic Data and Nuclear Data Tables (2001)

Non-radiative (Auger) rates
===========================

Taken from the EADL97 database. Originally published by Chen and Crasemann in their papers "Relativistic radiationless tranqition probabilities for atomic K- and L-shells", Atomic Data and Nulear Data Tables (1979) and "Relativistic M-shell radiationless transitions", Physical Review A (1980)

Crystal structures
==================

Taken from XOP with kind permissions from Manuel Sanchez del Rio.

CS_Energy.dat
=============

Mass energy-absorption coefficients. Values are taken from NIST (http://physics.nist.gov/PhysRefData/XrayMassCoef/tab3.html), as calculated by S.M. Seltzer (Radiation Research 136, 147 (1993)).

NIST compound composition database and element densities (densities.dat)
========================================================================

Taken from http://physics.nist.gov/cgi-bin/Star/compos.pl using the nist-compounds.pl script

Fluorescence yields and Coster-Kronig transition probabilities
==============================================================

Some of the values have been replaced by those from Campbell's paper "Fluorescence yields and Coster–Kronig probabilities for the atomic L subshells. Part II: The L1 subshell revisited", Atomic Data and Nulear Data Tables (2009)

Radionuclides
=============

Taken from http://ie.lbl.gov/toi using the nuclices.pl script