RESUMO
In this work, we test a recently developed method to enhance classical auxiliary-field quantum Monte Carlo (AFQMC) calculations with quantum computers against examples from chemistry and material science, representative of classes of industry-relevant systems. As molecular test cases, we calculate the energy curve of H4 and the relative energies of ozone and singlet molecular oxygen with respect to triplet molecular oxygen, which is industrially relevant in organic oxidation reactions. We find that trial wave functions beyond single Slater determinants improve the performance of AFQMC and allow it to generate energies close to chemical accuracy compared to full configuration interaction or experimental results. In the field of material science, we study the electronic structure properties of cuprates through the quasi-1D Fermi-Hubbard model derived from CuBr2, where we find that trial wave functions with both significantly larger fidelities and lower energies over a mean-field solution do not necessarily lead to AFQMC results closer to the exact ground state energy.
RESUMO
We compute next-to-leading order QCD corrections to the top-bottom interference contribution to H+j production at the LHC. To achieve this, we combine the recent computation of the two-loop amplitudes for ggâHg and qgâHq, performed in the approximation of a small b-quark mass, and the numerical calculation of the squared one-loop amplitudes for ggâHgg and qgâHqg, performed within OpenLoops. We find that QCD corrections to the interference are large and similar to the QCD corrections to the top-mediated Higgs production cross section. We also observe a significant reduction in the mass-renormalization scheme uncertainty once the next-to-leading order QCD prediction for the interference is employed.
