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We analyze the sharpness of crossing (isosbestic) points of a family of curves which are observed in many quantities described by a function f(x,p), where x is a variable (e.g., the frequency) and p a parameter (e.g., the temperature). We show that if a narrow crossing region is observed near x* for a range of parameters p, then f(x,p) can be approximated by a perturbative expression in p for a wide range of x. This allows us, e.g., to extract the temperature dependence of several experimentally obtained quantities, such as the Raman response of HgBa2CuO4+delta, photoemission spectra of thin VO2 films, and the reflectivity of CaCu3Ti4O12, all of which exhibit narrow crossing regions near certain frequencies. We also explain the sharpness of isosbestic points in the optical conductivity of the Falicov-Kimball model and the spectral function of the Hubbard model.
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We investigate the properties of the spectral function A(omega,U) of correlated electrons within the Hubbard model and dynamical mean-field theory. Curves of A(omega,U) vs. omega for different values of the interaction U are found to intersect near the band-edges of the non-interacting system. For a wide range of U the crossing points are located within a sharply confined region. The precise location of these isosbestic points depends on details of the non-interacting band structure. Isosbestic points of dynamic quantities therefore provide valuable insights into microscopic energy scales of correlated systems.
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The sign problem (SP) is the fundamental limitation to simulations of strongly correlated materials in condensed matter physics, solving quantum chromodynamics at finite baryon density, and computational studies of nuclear matter. As a result, it is part of the reason fields such as ultra-cold atomic physics are so exciting: they can provide quantum emulators of models that could not otherwise be solved, due to the SP. For the same reason, it is also one of the primary motivations behind quantum computation. It is often argued that the SP is not intrinsic to the physics of particular Hamiltonians, since the details of how it onsets, and its eventual occurrence, can be altered by the choice of algorithm or many-particle basis. Despite that, we show that the SP in determinant quantum Monte Carlo (DQMC) is quantitatively linked to quantum critical behavior. We demonstrate this via simulations of a number of fundamental models of condensed matter physics, including the spinful and spinless Hubbard Hamiltonians on a honeycomb lattice and the ionic Hubbard Hamiltonian, all of whose critical properties are relatively well understood. We then propose a reinterpretation of the low average sign for the Hubbard model on the square lattice when away from half-filling, an important open problem in condensed matter physics, in terms of the onset of pseudogap behavior and exotic superconductivity. Our study charts a path for exploiting the average sign in QMC simulations to understand quantum critical behavior, rather than solely as an obstacle that prevents quantum simulations of many-body Hamiltonians at low temperature.
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