most citedNodal error behind discrepancies between coupled cluster and diffusion Monte Carlo in hydrogen-bonded systems

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physics.comp-ph2024

X marks the spot: accurate energies from intersecting extrapolations of continuum quantum Monte Carlo data

Seyed Mohammadreza Hosseini, Ali Alavi, Pablo Lopez Rios

We explore the application of an extrapolative method that yields very accurate total and relative energies from variational and diffusion quantum Monte Carlo (VMC and DMC) results…