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Reptation Quantum Monte Carlo: A Method for Unbiased Ground-State Averages and Imaginary-Time Correlations

1999; American Physical Society; Volume: 82; Issue: 24 Linguagem: Inglês

10.1103/physrevlett.82.4745

1092-0145

Stefano Baroni, Saverio Moroni,

Atomic and Subatomic Physics Research

We introduce a new stochastic method for calculating ground-state properties of quantum systems. Segments of a Langevin random walk guided by a trial wave function are subject to a Metropolis rejection test performed on the time integral of the local energy. The algorithm---which is as simple as variational Monte Carlo---for bosons provides exact expectation values of local observables, as well as their static and dynamic (in imaginary time) response functions, without mixed-estimate nor population-control biases. Our method is demonstrated with a few case applications to ${}^{4}\mathrm{He}$.