Stochastic resolution-of-the-identity auxiliary-field quantum Monte Carlo: Scaling reduction without overhead.

  title={Stochastic resolution-of-the-identity auxiliary-field quantum Monte Carlo: Scaling reduction without overhead.},
  author={Joonho Lee and David R. Reichman},
  journal={The Journal of chemical physics},
  volume={153 4},
We explore the use of the stochastic resolution-of-the-identity (sRI) with the phaseless auxiliary-field quantum Monte Carlo (ph-AFQMC) method. sRI is combined with four existing local energy evaluation strategies in ph-AFQMC, namely, (1) the half-rotated electron repulsion integral tensor (HR), (2) Cholesky decomposition (CD), (3) tensor hypercontraction (THC), or (4) low-rank factorization (LR). We demonstrate that HR-sRI achieves no scaling reduction, CD-sRI scales as O(N3), and THC-sRI and… 
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