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Updated: Apr 16, 2026

Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids
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Relativistic Complete Active Space Self-Consistent-Field Method with a Hierarchy of Exact Two-Component Hamiltonians

Xubo Wang1, Sen Wang1, Yixuan Wu1

  • 1Department of Chemistry, The Johns Hopkins University, Baltimore, Maryland 21218-2625, United States.

Journal of Chemical Theory and Computation
|April 14, 2026
PubMed
Abstract

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