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Full Configuration Interaction Quantum Monte Carlo and Diffusion Monte Carlo: A Comparative Study of the 3D Homogeneous Electron Gas
James J. Shepherd, Pablo L 'opez R 'Ios, R. J. Needs, N. D. Drummond, Jennifer A. F. Mohr, George H. Booth, Andreas Gr uneis, Kresse Georg, Ali Alavi (2013). Full Configuration Interaction Quantum Monte Carlo and Diffusion Monte Carlo: A Comparative Study of the 3D Homogeneous Electron Gas. Bulletin of the American Physical Society, 2013
Article169 days agoOptimized norm-conserving pseudopotentials
Kresse Georg, J. Häfner, R. J. Needs (1992). Optimized norm-conserving pseudopotentials. Journal of Physics Condensed Matter, 4(36), pp. 7451-7468, DOI: 10.1088/0953-8984/4/36/018.
Article180 days ago