A CASSCF+NEVPT2 study of the silicon G-center reports a 1.036 eV vertical excitation, zero-field-splitting components in partial agreement with experiment, and a 1.465 ms predicted spin-coherence time.
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Cluster-configurational study of G-center in Silicon
A CASSCF+NEVPT2 study of the silicon G-center reports a 1.036 eV vertical excitation, zero-field-splitting components in partial agreement with experiment, and a 1.465 ms predicted spin-coherence time.