Mh. Kalos, CORRELATED PAIRS IN MODEL FERMION MONTE-CARLO CALCULATIONS, Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics, 53(5), 1996, pp. 5420-5427
The issues that prevent the development of efficient and stable algori
thms for fermion Monte Carlo calculations in continuum systems are ree
xamined with special reference to the implications of the ''plus-minus
'' symmetry. This is a property of many algorithms that use signed wal
kers, namely, that the dynamics are unchanged when the signs of the wa
lkers are interchanged. Algorithms that obey this symmetry cannot exhi
bit the necessary stability. Specifically, estimates of the overlap wi
th any antisymmetric test function cannot be bounded away from zero in
the limit of many iterations. Within the framework of a diffusion Mon
te Carlo treatment of the Schrodinger equation, it is shown that this
symmetry is easily broken for pairs of walkers while at the same time
preserving the correct marginal dynamics for each member of the pair.
The key is to create different classes of correlations between members
of pairs and to use (at least) two distinct correlations for a pair a
nd for the same pair with signs exchanged. The ideas are applied succe
ssfully for a class of simple model problems in two dimensions.