Characterizing the Unifying Thread in High Temperature Superconductors Using Realistic Simulations

Awadhesh Narayan, Brian Busemeyer & Lucas K. Wagner
This is a dataset collecting high accuracy quantum Monte Carlo (QMC) results for pnictide and cuprate compounds, some of which are high temperature superconductors. Our trial wavefunction consists of a Slater determinant augmented by a Jastrow factor. We construct the Slater determinant using orbitals from density functional theory (DFT). Our DFT calculations are done using the CRYSTAL package, with the PBE0 functional. We use Burkatzki-Filippi-Dolg pseudopotentials to replace the core electrons. We then use the...
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