407 citations · 1.5k across the 18 of their papers we have counts for
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Quantum Monte Carlo study of the first-row atoms and ions
P. Seth, P. López Ríos, R. J. Needs
Quantum Monte Carlo calculations of the first-row atoms Li-Ne and their singly-positively-charged ions are reported. Multi-determinant-Jastrow-backflow trial wave functions are use…
Energies of the first row atoms from quantum Monte Carlo
Matthew Brown, John Robert Trail, Pablo Lopez Rios +1
All-electron variational and diffusion quantum Monte Carlo calculations of the ground state energies of the first row atoms (Li to Ne) are reported. We use trial wavefunctions of f…
Strategies for improving the efficiency of quantum Monte Carlo calculations
R. M. Lee, G. J. Conduit, N. Nemec +2
We describe a number of strategies for minimizing and calculating accurately the statistical uncertainty in quantum Monte Carlo calculations. We investigate the impact of the sampl…
First-Principles Study of a Positron Immersed in an Electron Gas
N. D. Drummond, P. Lopez Rios, C. J. Pickard +1
Calculations of the relaxation energy, contact pair-correlation function, and annihilating-pair momentum density for a single positron immersed in a homogeneous electron gas are pr…
Continuum variational and diffusion quantum Monte Carlo calculations
R. J. Needs, M. D. Towler, N. D. Drummond +1
This topical review describes the methodology of continuum variational and diffusion quantum Monte Carlo calculations. These stochastic methods are based on many-body wave function…