In nearly antiferromagnetic (AF) metals such as high-
Tc superconductors (HTSCs), a single nonmagnetic impurity frequently causes nontrivial widespread change of the electronic states. To elucidate this long-standing issue, we study a Hubbard model with a strong onsite impurity potential based on an improved fluctuation-exchange (FLEX) approximation, which we call the
GVI-FLEX method. This model corresponds to the HTSC with dilute nonmagnetic impurity concentration. We find that (i) both local and staggered susceptibilities are strongly enhanced around the impurity. By this reason, (ii) the quasiparticle lifetime as well as the local density of states are strongly suppressed in a wide area around the impurity (like a Swiss cheese hole), which causes the ``huge residual resistivity'' beyond the
s-wave unitary scattering limit. We stress that the excess quasiparticle damping rate caused by impurities has strong
k-dependence due to non-
s-wave scatterings induced by many-body effects, so the structure of the ``hot spot/cold spot'' in the host system persists against impurity doping. This result could be examined by the ARPES measurements. In addition, (iii) only a few percent of impurities can cause a ``Kondo-like'' upturn of resistivity $(d\ensuremath{\rho}∕dT<0)$ at low
T when the system is very close to the AF quantum critical point. The results (i)--(iii) obtained in the present study, which cannot be derived by the simple FLEX approximation, naturally explain the main impurity effects in HTSCs. We also discuss the impurity effect in heavy fermion systems and organic superconductors.
We study time-dependent electron transport through an Anderson model. The electronic interactions on the impurity site are included via the self-energy approximations at Hartree-Fock (HF), second Born (2B), GW, and
T-matrix levels as well as within a time-dependent density functional (TDDFT) scheme based on the adiabatic Bethe-ansatz local density approximation (ABALDA) for the exchange-correlation potential. The Anderson model is driven out of equilibrium by applying a bias to the leads, and its nonequilibrium dynamics is determined by real-time propagation. The time-dependent currents and densities are compared to benchmark results obtained with the time-dependent density matrix renormalization group (tDMRG) method. Many-body perturbation theory beyond HF gives results in close agreement with tDMRG, especially within the 2B approximation. We find that the TDDFT approach with the ABALDA approximation produces accurate results for the densities on the impurity site, but overestimates the currents. This problem is found to have its origin in an overestimation of the lead densities, which indicates that the exchange-correlation potential must attain nonzero values in the leads.
A decomposition of the exact exchange-correlation potential of time-dependent density functional theory into an interaction component and a kinetic component offers a new starting point for non-adiabatic approximations. The components are expressed in terms of the exchange-correlation hole and the difference between the one-body density matrix of the interacting and Kohn-Sham systems, which must be approximated in terms of quantities accessible from the Kohn-Sham evolution. We explore several preliminary approximations, evaluate their fulfillment of known exact conditions, and test their performance on simple model systems for which available exact solutions indicate the significance of going beyond the adiabatic approximation.