Constrained path Monte Carlo method for fermion ground states

被引:306
作者
Zhang, SW
Carlson, J
Gubernatis, JE
机构
[1] LOS ALAMOS NATL LAB,DIV THEORET,LOS ALAMOS,NM 87545
[2] LOS ALAMOS NATL LAB,CTR NONLINEAR STUDIES,LOS ALAMOS,NM 87545
[3] OHIO STATE UNIV,DEPT PHYS,COLUMBUS,OH 43210
来源
PHYSICAL REVIEW B | 1997年 / 55卷 / 12期
关键词
D O I
10.1103/PhysRevB.55.7464
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
We describe and discuss a recently proposed quantum Monte Carlo algorithm to compute the ground-state properties of various systems of interacting fermions. In this method, the ground state is projected fi om an initial wave function by a branching random walk in an overcomplete basis of Slater determinants. By constraining the determinants according to a trial wave function \psi(T)], we remove the exponential decay of signal-to-noise ratio characteristic of the sign problem. The method is variational and is exact if \psi(T)] is exact. We illustrate the method by describing in detail its implementation for the two-dimensional one-hand Hubbard model. We show results for lattice sizes up to 16x16 and for various electron fillings and interaction strengths. With simple single-determinant wave functions as \psi(T)], the method yields accurate (often to within a few percent) estimates of the ground-state energy as well as correlation functions, such as those for electron pairing. We conclude by discussing possible extensions of the algorithm.
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页码:7464 / 7477
页数:14
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