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20102023
most citedAb-initio quantum chemistry with neural-network wavefunctions

129 citations · 762 across the 16 of their papers we have counts for

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Showing 2014 · physics.comp-phShow all

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physics.comp-ph2014★ 38 cited

The sign problem in full configuration interaction quantum Monte Carlo: Linear and sub-linear representation regimes for the exact wave function

James J. Shepherd, Gustavo E. Scuseria, James S. Spencer

We investigate the sign problem for full configuration interaction quantum Monte Carlo (FCIQMC), a stochastic algorithm for finding the ground state solution of the Schrödinger equ…