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Rigorous wave function embedding with dynamical fluctuations
Edoardo Fertitta, George H. Booth
The dynamical fluctuations in approaches such as dynamical mean-field theory (DMFT) allow for the self-consistent optimization of a local fragment, hybridized with a true correlate…
Non-linear biases, stochastically-sampled effective Hamiltonians and spectral functions in quantum Monte Carlo methods
Nick S. Blunt, Ali Alavi, George H. Booth
In this article we study examples of systematic biases that can occur in quantum Monte Carlo methods due to the accumulation of non-linear expectation values, and approaches by whi…
Response Formalism within Full Configuration Interaction Quantum Monte Carlo: Static Properties and Electrical Response
Pradipta Kumar Samanta, Nick S. Blunt, George H. Booth
We formulate a general, arbitrary-order stochastic response formalism within the Full Configuration Interaction Quantum Monte Carlo framework. This modified stochastic dynamic allo…