COLUMBUS─ An Efficient and General Program Package for Ground and Excited State Computations

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“COLUMBUS─ An Efficient and General Program Package for Ground and Excited State Computations Including Spin–Orbit Couplings and Dynamics” J. Phys. Chem. A 2025, 129, 28, 6482-6517.

This work describes developments on and applications of the COLUMBUS program package, which implements high-level multireference computations applicable for challenging situations and amenable for dynamics and spin-orbit coupled calculations.