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We present an approach to calculation of point defect optical and thermalionization energies based on the highly accurate quantum Monte Carlo methods.The use of an inherently many-body theory that directly treats electroncorrelation offers many improvements over the typically-employed densityfunctional theory Kohn-Sham description. In particular, the use of quantumMonte Carlo methods can help overcome the band gap problem and obviate the needfor ad-hoc corrections. We demonstrate our approach to the calculation of theoptical and thermal ionization energies of the F-center defect in magnesiumoxide, and obtain excellent agreement with experimental and/or otherhigh-accuracy computational results.

Point-Defect Optical Transitions and Thermal Ionization Energies from Quantum Monte Carlo Methods: Application to F-center Defect in MgO