Solving the ST1 Diamond Color Center: VCOCVC²⁺ Spin-Singlet with Metastable Triplet

Using embedded multiconfigurational quantum theory, the decade-long mystery of the ST1 diamond color center is resolved—identified as VCOCVC²⁺, matching its spin-singlet ground state, 2.2–2.3 eV zero-phonon line, and zero-field splitting parameters.

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