369 citations · 908 across the 6 of their papers we have counts for
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physics.comp-ph2008★ 94 cited
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…
physics.comp-ph2008★ 243 cited
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…
physics.comp-ph2008★ 369 cited
Jastrow correlation factor for atoms, molecules, and solids
N. D. Drummond, M. D. Towler, R. J. Needs
A form of Jastrow factor is introduced for use in quantum Monte Carlo simulations of finite and periodic systems. Test data are presented for atoms, molecules, and solids, includin…