Web-based methods for X-ray and photoelectron spectroscopies
نویسندگان
چکیده
We present a simplified web-based application for simulating x-ray and photoelectron spectra of transition metals, built around the notion that applications lower bar novice users. The provides simple interface to simulate absorption spectroscopy, resonant inelastic scattering, angle-resolved photoemission incorporating effects local electronic interactions, which give rise multiplets, spin-orbit coupling, crystal field effects, ligand hybridization/charge transfer. Results can be obtained highlight key role photon polarization.
منابع مشابه
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ژورنال
عنوان ژورنال: Computational Materials Science
سال: 2021
ISSN: ['1879-0801', '0927-0256']
DOI: https://doi.org/10.1016/j.commatsci.2021.110814