Optimization Stability in Excited-State-Specific Variational Monte Carlo.
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DOI: 10.1021/acs.jctc.2c00642
Abstract: We investigate the issue of optimization stability in variance-based state-specific variational Monte Carlo, discussing the roles of the objective function, the complexity of wave function ansatz, the amount of sampling effort, and the choice of… read more here.
Keywords: monte carlo; state specific; variational monte; optimization stability ... See more keywords