A deterministic alternative to the full configuration interaction quantum Monte Carlo method.

@article{Tubman2016ADA,
  title={A deterministic alternative to the full configuration interaction quantum Monte Carlo method.},
  author={Norm M. Tubman and Joonho Lee and Tyler Y Takeshita and Martin Head-Gordon and K. Birgitta Whaley},
  journal={The Journal of chemical physics},
  year={2016},
  volume={145 4},
  pages={044112}
}
Development of exponentially scaling methods has seen great progress in tackling larger systems than previously thought possible. One such technique, full configuration interaction quantum Monte Carlo, is a useful algorithm that allows exact diagonalization through stochastically sampling determinants. The method derives its utility from the information in the matrix elements of the Hamiltonian, along with a stochastic projected wave function, to find the important parts of Hilbert space… CONTINUE READING
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