The Journal of chemical physics
Implementing advanced trial wave functions in fermion quantum Monte Carlo via stochastic sampling.
Zhi-Yu Xiao, Tao Xiang, Zixiang Lu, Yixiao Chen, Shiwei Zhang
Published: 202510.1063/5.0296390
Abstract
We introduce an efficient approach to implement correlated many-body trial wave functions in auxiliary-field quantum Monte Carlo (AFQMC). To control the sign/phase problem in AFQMC, a constraint is derived from an exact gauge condition but is typical…
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