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    Université de Fribourg

    Pressure-driven insulator-metal transition in cubic phase UO 2

    Huang, Li ; Wang, Yilin ; Werner, Philipp

    In: EPL (Europhysics Letters), 2017, vol. 119, no. 5, p. 57007

    Understanding the electronic properties of actinide oxides under pressure poses a great challenge for experimental and theoretical studies. Here, we investigate the electronic structure of cubic phase uranium dioxide at different volumes using a combination of density functional theory and dynamical mean-field theory. The ab initio calculations predict an orbital-selective insulator-metal...

    Université de Fribourg

    Detecting phase transitions and crossovers in Hubbard models using the fidelity susceptibility

    Huang, Li ; Wang, Yilin ; Wang, Lei ; Werner, Philipp

    In: Physical Review B, 2016, vol. 94, no. 23, p. 235110

    A generalized version of the fidelity susceptibility of single-band and multiorbital Hubbard models is systematically studied using single-site dynamical mean-field theory in combination with a hybridization expansion continuous-time quantum Monte Carlo impurity solver. We find that the fidelity susceptibility is extremely sensitive to changes in the state of the system. It can be used as a...

    Université de Fribourg

    iQIST : An open source continuous-time quantum Monte Carlo impurity solver toolkit

    Huang, Li ; Wang, Yilin ; Meng, Zi Yang ; Du, Liang ; Werner, Philipp ; Dai, Xi

    In: Computer Physics Communications, 2015, vol. 195, p. 140–160

    Quantum impurity solvers have a broad range of applications in theoretical studies of strongly correlated electron systems. Especially, they play a key role in dynamical mean-field theory calculations of correlated lattice models and realistic materials. Therefore, the development and implementation of efficient quantum impurity solvers is an important task. In this paper, we present an open...