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Updated: Sep 18, 2025

Experimental Methods for Spin- and Angle-Resolved Photoemission Spectroscopy Combined with Polarization-Variable Laser
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Treating Spin-Orbit Coupling and Spin-Spin Coupling in the Framework of the Iterative Configuration Expansion

Lucas Lang1, Vijay Gopal Chilkuri1, Frank Neese1

  • 1Max-Planck-Institut für Kohlenforschung, Kaiser-Wilhelm-Platz 1, 45470 Mülheim an der Ruhr, Germany.

Journal of Chemical Theory and Computation
|June 23, 2025
PubMed
Summary

This study implements spin-dependent operators for the iterative configuration expansion (ICE) selected CI method, enabling accurate calculations of magnetic properties for open-shell molecules.

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