183 citations · 1.5k across the 25 of their papers we have counts for
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Variational and Diffusion Quantum Monte Carlo Calculations with the CASINO Code
R. J. Needs, M. D. Towler, N. D. Drummond +2
We present an overview of the variational and diffusion quantum Monte Carlo methods as implemented in the CASINO program. We particularly focus on developments made in the last dec…
Optimum and efficient sampling for variational quantum Monte Carlo
John Robert Trail, Ryo Maezono
Quantum mechanics for many-body systems may be reduced to the evaluation of integrals in 3N dimensions using Monte-Carlo, providing the Quantum Monte Carlo ab initio methods. Here…
Heavy-tailed random error in quantum Monte Carlo
J. R. Trail
The combination of continuum Many-Body Quantum physics and Monte Carlo methods provide a powerful and well established approach to first principles calculations for large systems.…
Alternative sampling for variational quantum Monte Carlo
J. R. Trail
Expectation values of physical quantities may accurately be obtained by the evaluation of integrals within Many-Body Quantum mechanics, and these multi-dimensional integrals may be…
Electronic damping of molecular motion at metal surfaces
J. R. Trail, M. C. Graham, D. M. Bird
A method for the calculation of the damping rate due to electron-hole pair excitation for atomic and molecular motion at metal surfaces is presented. The theoretical basis is provi…