Fig. 4: Energy–volume curve using sfTA-CCSD for the diamond and β-Sn phases of silicon.
From: A shortcut to the thermodynamic limit for quantum many-body calculations of metals
The main panel shows total energies and the inset shows correlation energies. The dashed lines show a fit to the Birch–Murnaghan equation of state for the diamond and β-Sn phases. The fit was used to obtain the lattice properties of the phases shown in Table 1. To make a fair comparison with previous results for the fit, points represented by open circles were omitted (see ‘Results’ section). A core-polarization correction has been added (Methods).
