243 citations · 478 across the 5 of their papers we have counts for
5 papers
Diamond -> beta-tin phase transition in Si within diffusion quantum Monte Carlo
Ryo Maezono, N. D. Drummond, A. Ma +1
We have studied the diamond -> beta-tin phase transition in Si using diffusion quantum Monte Carlo (DMC) methods. Slater-Jastrow-backflow trial wave functions give lower DMC energi…
Scheme for adding electron-nucleus cusps to Gaussian orbitals
A. Ma, M. D. Towler, N. D. Drummond +1
A simple scheme is described for introducing the correct cusps at nuclei into orbitals obtained from Gaussian basis set electronic structure calculations. The scheme is tested with…
All-electron quantum Monte Carlo calculations for the noble gas atoms He to Xe
A. Ma, N. D. Drummond, M. D. Towler +1
We report all-electron variational and diffusion quantum Monte Carlo (VMC and DMC) calculations for the noble gas atoms He, Ne, Ar, Kr, and Xe. The calculations were performed usin…
Inhomogeneous backflow transformations in quantum Monte Carlo calculations
P. Lopez-Rios, A. Ma, N. D. Drummond +2
An inhomogeneous backflow transformation for many-particle wave functions is presented and applied to electrons in atoms, molecules, and solids. We report variational and diffusion…
Quantum Monte Carlo study of the Ne atom and the Ne+ ion
N. D. Drummond, P. Lopez Rios, A. Ma +4
We report all-electron and pseudopotential calculations of the ground-stateenergies of the neutral Ne atom and the Ne+ ion using the variational and diffusion quantum Monte Carlo (…