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Development of a Minimal Auxiliary Basis for the Particle--Particle Random Phase Approximation (ppRPA): Accelerating Excited-State Calculations in Diradical Nanoparticles and Periodic Systems
Singlet--triplet gaps set the energy scale of the two-spin manifold in molecular quantum information materials, and such systems frequently carry diradical character: metal nanoclusters, metal--organic frameworks with radical linkers, and the nitrogen--vacancy center in diamond. Time-dependent densi
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