Unloading the dice: Minimising biases in Full Configuration Interaction Quantum Monte Carlo
W. A. Vigor, James S. Spencer, Michael J. Bearpark, Alex J. W. Thom
Abstract
X iv :1 40 7. 17 53 v1 [ ph ys ic s. ch em -p h] 7 J ul 2 01 4 Unloading the dice: Minimising biases in Full Configuration Interaction Quantum Monte Carlo W. A. Vigor, J. S. Spencer, 3 M. J. Bearpark, and A. J. W. Thom 4 Department of Chemistry, Imperial College London, Exhibition Road, London, SW7 2AZ, United Kingdom Department of Physics, Imperial College London, Exhibition Road, London, SW7 2AZ, United Kingdom Department of Materials, Imperial College London, Exhibition Road, London, SW7 2AZ, United Kingdom University Chemical Laboratory, Lensfield Road, Cambridge, CB2 1EW, United Kingdom