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Josef Filgas

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Open access Sep 2026

Revealing the structural origin of spin-orbit coupling with SOPEL.

Spin-orbit coupling is a key ingredient for many photochemical processes, yet it is commonly reported as an opaque scalar quantity with limited chemical interpretability. Here, we introduce the concept of SOPEL (Spin-Orbit Population ELement), an atom-resolved decomposition of spin-orbit coupling matrix elements (SOCME...

Josef Filgas, P. Slavíček · 0 citations

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