Interfacing Branching Random Walks with Metropolis Sampling: Constraint Release in Auxiliary-Field Quantum Monte Carlo - Xiao, Zhi-Yu; Shi, Hao; Zhang, Shiwei (Journal of chemical theory and computation, 2023)
Keywords: Algorithms; Chain branching; Chemistry; Computation; Condensed Matter, Interfaces, and Materials; Constraints; Correlation; Hamiltonian functions; Markov chains; Physics; Random walk; Sampling; Systematic errors; Wave functions