Nonorthogonal Configuration Interaction of Constraint-Based Orbital-Optimized Excited States: A Versatile Method for Theoretical Photochemistry.

J Chem Theory Comput · 2025 · PMC12573764 · PMID 41059735

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a clear trendno p-value reported

As one might expect, the results in Table show a clear trend toward higher excitation energies with increasing admixture of EXX.

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