Fig. 1: Illustrations of sfTA with computational efficiency data.
From: A shortcut to the thermodynamic limit for quantum many-body calculations of metals
a, A solid-state calculation flow scheme emphasizing where 100 twist angles are used. b, A solid-state calculation flow scheme with one twist angle chosen by sfTA. c, A simple example of convergence of a regular twist-averaging stochastic error for sodium. The sfTA difference line represents systematic error from the twist average. d, Different treatments for the CCSD transition structure factor, S(G), for sodium plotted against momentum, G. Green, 100 twist angles; blue, the average over the same twist angles; orange, the sfTA twist angle obtained from 100 MP2 calculations.
