CORDIS Project
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This project develops a new method for accurately evaluating time-resolved Auger electron spectroscopy by combining advanced computational techniques. It aims to enhance the understanding of electron dynamics in various materials, supporting experimental efforts in ultrafast spectroscopy.
A novel application of a multicentric linear combination of atomic orbitals (LCAO) B-spline method to the accurate evaluation of resonant and non-resonant (time-resolved) Auger electron spectroscopy (AES) is proposed.
The approach will combine equation-of-motion Coupled Cluster (EOM-CC) as well as complete active space self-consistent field (CASSCF) methods for the treatment of the bound states with the LCAO B-spline methodology to account for the outgoing electron and, thus, accurately address…
TECHNICAL UNIVERSITY OF DENMARK DTU
DANMARKS TEKNISKE UNIVERSITET
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