and multireference correlated ab initio methods.” Designed especially for user
friendliness.
2. FEFF [228]. http://monalisa.phys.washington.edu/index-feffproject.html. Calculates XAS with real-space multiple-scattering approach based on Green’s
functions.
3. StoBe [273]. “Stockholm-Berlin version of deMon, a Density Functional Theory
molecule/cluster package.” http://www.fhi-berlin.mpg.de/KHsoftware/StoBe/.
A real-space wave function approach based on linear combinations of
Gaussian-type orbitals.
4. WIEN2k [282]. http://susi.theochem.tuwien.ac.at. A band structure approach to
XANES analysis, based on linearized augmented plane wave (LAPW) description of the potential.
5. TT-Multiplets.
http://www.anorg.chem.uu.nl/people/staff/FrankdeGroot/
ttmultiplets.htm. The classic package for calculating XANES, XPS, XMCD,
and RIXS within the empirical multiplet approach.
6. CTM4XAS [330]. http://www.anorg.chem.uu.nl/CTM4XAS/software.html. A
user-friendly PC-based program that implements multiplet calculations for
XAS, XES, and XPS.
190
7 XANES and XMCD
friendliness.
2. FEFF [228]. http://monalisa.phys.washington.edu/index-feffproject.html. Calculates XAS with real-space multiple-scattering approach based on Green’s
functions.
3. StoBe [273]. “Stockholm-Berlin version of deMon, a Density Functional Theory
molecule/cluster package.” http://www.fhi-berlin.mpg.de/KHsoftware/StoBe/.
A real-space wave function approach based on linear combinations of
Gaussian-type orbitals.
4. WIEN2k [282]. http://susi.theochem.tuwien.ac.at. A band structure approach to
XANES analysis, based on linearized augmented plane wave (LAPW) description of the potential.
5. TT-Multiplets.
http://www.anorg.chem.uu.nl/people/staff/FrankdeGroot/
ttmultiplets.htm. The classic package for calculating XANES, XPS, XMCD,
and RIXS within the empirical multiplet approach.
6. CTM4XAS [330]. http://www.anorg.chem.uu.nl/CTM4XAS/software.html. A
user-friendly PC-based program that implements multiplet calculations for
XAS, XES, and XPS.
190
7 XANES and XMCD