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Using a combined local density functional theory (LDA-DFT) and quantum MonteCarlo (QMC) dynamic cluster approximation approach, the parameter dependence ofthe superconducting transition temperature Tc of several single-layerhole-doped cuprate superconductors with experimentally very different Tcmax isinvestigated. The parameters of two different three-band Hubbard models areobtained using the LDA and the downfolding Nth-order muffin-tin orbitaltechnique with N=0 and 1 respectively. QMC calculations on 4-site clusters showthat the d-wave transition temperature Tc depends sensitively on theparameters. While the N=1 MTO basis set which reproduces all three $pd\sigma$bands leads to a d-wave transition, the N=0 set which merely reproduces the LDAFermi surface and velocities does not.

physical review. b, condensed matter and materials physics

Combined density-functional and dynamical cluster quantum Monte Carlo  calculations for three-band Hubbard models for hole-doped cuprate  superconductors