Second-order post-Hartree-Fock perturbation theory for the electron current

Based on the super-fermion representation of quantum kinetic equations we develop nonequilibrium, post-Hartree-Fock many-body perturbation theory for the current through a region of interacting electrons. We apply the theory to out of equilibrium Anderson model and discuss practical implementation of the approach. Our calculations show that nonequilibrium electronic correlations may produce significant quantitative and qualitative corrections to mean-field electronic transport properties. We find that the nonequilibrium leads to enhancement of electronic correlations

Stability analysis of multiple nonequilibrium fixed points in self-consistent electron transport calculations

We present a method to perform stability analysis of nonequilibrium fixed points appearing in self-consistent electron transport calculations. The nonequilibrium fixed points are given by the self-consistent solution of stationary, nonlinear kinetic equation for single-particle density matrix. We obtain the stability matrix by linearizing the kinetic equation around the fixed points and analyze the real part of its spectrum to assess the asymptotic time behavior of the fixed points. We derive expressions for the stability matrices within Hartree-Fock and linear response adiabatic time-dependent density functional theory. The stability analysis of multiple fixed points is performed within the nonequilibrium Hartree-Fock approximation for the electron transport through a molecule with a spin-degenerate single level with local Coulomb interaction

Kramers problem for nonequilibrium current-induced chemical reactions

We discuss the use of tunneling electron current to control and catalyze chemical reactions. Assuming the separation of time scales for electronic and nuclear dynamics we employ the Langevin equation for the reaction coordinate. The Langevin equation contains current-induced forces and is used to define nonequilibrium, effective potential energy surface for current-carrying molecular systems. The current-induced forces are computed via Keldysh nonequilibrium Green's functions. Once the nonequilibrium, current-depended potential energy surface is defined, the chemical reaction is modeled as an escape of a Brownian particle from the potential well. We demonstrate that the barrier between the reactant and the product states can be controlled by the bias voltage. When the molecule is asymmetrically coupled to the electrodes, the reaction can be catalyzed or stopped depending on the polarity of the tunneling current.Comment: 4 pages, 2 figure

Neutrino absorption by hot nuclei in supernova environments

Using the thermal quasiparticle random phase approximation, we study the process of neutrino and antineutrino capture on hot nuclei in supernova environments. For the sample nuclei $^{56}$Fe and $^{82}$Ge we perform a detailed analysis of thermal effects on the strength distribution of allowed Gamow-Teller transitions which dominate low-energy charged-current neutrino reactions. The finite temperature cross sections are calculated taking into account the contributions of both allowed and forbidden transitions. The enhancement of the low-energy cross sections is explained by considering thermal effects on the GT$_\pm$ strength. For $^{56}$Fe we compare the calculated finite-temperature cross sections with those obtained from large-scale shell-model calculations.Comment: Minor revisions according to referee's recomendation

Inelastic neutrino scattering off hot nuclei in supernova environments

We study inelastic neutrino scattering off hot nuclei for temperatures relevant under supernova conditions. The method we use is based on the quasiparticle random phase approximation extended to finite temperatures within the thermo field dynamics (TQRPA). The method allows a transparent treatment of upward and downward transitions in hot nuclei, avoiding the application of Brink's hypothesis. For the sample nuclei $^{56}$Fe and $^{82}$Ge we perform a detailed analysis of thermal effects on the strength distributions of allowed Gamow-Teller (GT) transitions which dominate the scattering process at low neutrino energies. For $^{56}$Fe and $^{82}$Ge the finite temperature cross-sections are calculated by taking into account the contribution of allowed and forbidden transitions. The observed enhancement of the cross-section at low neutrino energies is explained by considering thermal effects on the GT strength. For $^{56}$Fe we compare the calculated cross-sections to those obtained earlier from a hybrid approach that combines large-scale shell-model and RPA calculations.Comment: 12 pages, 9 figure

Thermal QRPA with Skyrme interactions and supernova neutral-current neutrino-nucleus reactions

The Thermal Quasiparticle Random-Phase Approximation is combined with the Skyrme energy density functional method (Skyrme-TQRPA) to study the response of a hot nucleus to an external perturbation. For the sample nuclei, $^{56}$Fe and $^{82}$Ge, the Skyrme-TQRPA is applied to analyze thermal effects on the strength function of charge-neutral Gamow-Teller transitions which dominate neutrino-nucleus reactions at $E_\nu \lesssim 20$~MeV. For the relevant supernova temperatures we calculate the cross sections for inelastic neutrino scattering. We also apply the method to examine the rate of neutrino-antineutrino pair emission by hot nuclei. The cross sections and rates are compared with those obtained earlier from the TQRPA calculations based on the phenomenological Quasiparticle-Phonon Model Hamiltonian. For inelastic neutrino scattering on $^{56}$Fe we also compare the Skyrme-TQRPA results to those obtained earlier from a hybrid approach that combines shell-model and RPA calculations.Comment: Minor revisions according to referee's recomendation