Supporting Information

AIP Publishing 2026 Dataset Open access

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Authors: Chima S. Chibueze, Lucas Visscher
DOI: 10.60893/figshare.jcp.30919664.v1
Cited by: 0

Abstract

In this document, we provide supporting information to the main text. This comprises: geometries of the employed molecular structures, calculated excitation energies for functionals, and a discussion of the evaluation of the (new) matrix elements needed in ROKS-TDA-SOC.

Publication details

Journal / source
AIP Publishing
Publication date
1 January 2026
Document type
Dataset