Abstract
Xclaim (X-ray core level atomic multiplets) is a graphical interface for the calculation of core-hole spectroscopy and ground state properties within a charge-transfer multiplet model taking into account a many-body Hamiltonian with Coulomb, spin–orbit, crystal-field, and hybridization interactions. Using Coulomb and spin–orbit parameters calculated in the Hartree–Fock limit and ligand field parameters (crystal-field, hybridization and charge-transfer energy) the program calculates X-ray absorption spectroscopy (XAS), X-ray photoemission spectroscopy (XPS), photoemission spectroscopy (PES) and inverse photoemission (IPES). The program runs on Linux, Windows and MacOS platforms.
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