Reptation quantum Monte Carlo: A method for unbiased ground-state averages and imaginary-time correlations

被引:191
作者
Baroni, S
Moroni, S
机构
[1] Scuola Int Super Studi Avanzati, I-34014 Trieste, Italy
[2] Ist Nazl Fis Mat, I-34014 Trieste, Italy
关键词
D O I
10.1103/PhysRevLett.82.4745
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
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)He.
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页码:4745 / 4748
页数:4
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