Related papers: Electronic correlation in nanoscale junctions: Com…
The behavior of two magnetic impurities coupled to correlated electrons in one dimension is studied using the DMRG technique for several fillings. On-site Coulomb interactions among the electrons lead to a small Kondo screening cloud and an…
Quantum impurity models describe an atom or molecule embedded in a host material with which it can exchange electrons. They are basic to nanoscience as representations of quantum dots and molecular conductors and play an increasingly…
Single-molecule junctions - nanoscale systems where a molecule is connected to metallic electrodes - offer a unique platform for studying charge, spin and energy transport in non-equilibrium many-body quantum systems, with few parallels in…
The resonant tunneling model is the simplest model for describing electronic transport through nanoscale objects like individual molecules. A complete understanding includes not only charge transport but also thermal transport and their…
The interaction between electronic and vibrational degrees of freedom in single-molecule junctions may result from the dependence of the electronic energies or the electronic states of the molecular bridge on the nuclear displacement. The…
The accurate determination of the electronic structure of strongly correlated materials using first principle methods is of paramount importance in condensed matter physics, computational chemistry, and material science. However, due to the…
The magnetic and non-magnetic ground states of the periodic Anderson model with Coulomb interaction between $f$-electrons on the nearest-neighbour(NN) sites are investigated using a variational method, which gives exact calculation of the…
We present a controlled method for computing the exchange coupling in correlated one-dimensional electron systems based on the relation between the exchange constant and the pair-correlation function of spinless electrons. This relation is…
The spin-resolved thermoelectric transport properties of correlated nanoscale junctions, consisting of a quantum dot/molecule asymmetrically coupled to external ferromagnetic contacts, are studied theoretically in the far-from-equilibrium…
The Coulomb exchange and correlation energy density functionals for electron systems are applied to nuclear systems. It is found that the exchange functionals in the generalized gradient approximation provide agreements with the exact-Fock…
Spin-dependent coherent quantum transport through carbon nanotubes (CNT) is studied theoretically within a tight-binding model and the Green's function partitioning technique. End-contacted metal/nanotube/metal systems are modelled and next…
Using the integral equations of the Noncrossing Approximation, the differential conductance is computed as a function of voltage for scattering from a two channel Kondo impurity in a point contact. The results compare well to experimental…
We calculate the conductance through a single quantum dot coupled to metallic leads, modeled by the spin 1/2 Anderson model. We adopt the finite-U extension of the noncrossing approximation method. Our results are in good agreement with…
We have studied a clean finite-length line junction between interacting counterpropagating single-branch fractional-quantum-Hall edge channels. Exact solutions for low-lying excitations and transport properties are obtained when the two…
Electron correlation effects are essential for an accurate ab initio description of molecules. A quantitative a priori knowledge of the single- or multi-reference nature of electronic structures as well as of the dominant contributions to…
Non-equilibrium Green's functions (NEGF) formalism combined with extended Huckel (EHT) and charging model are used to study electrical conduction through single-molecule junctions. Analyzed molecular complex is composed of asymmetric…
We present a theoretical approach to determine the electronic properties of nanoscale systems exhibiting strong electron-electron and electron-phonon interactions and coupled to metallic electrodes. This approach is based on an…
Characterization of the structural and electron transport properties of single chiral molecules provides critical insights into the interplay between their electronic structure and electrochemical environments, providing broader…
We use the Matsubara functional renormalization group (FRG) to describe electronic correlations within the single impurity Anderson model. In contrast to standard FRG calculations, we account for the frequency-dependence of the two-particle…
We consider the correlation functions in a gas of electrons moving within a thin layer on the surface of nanosize sphere. A closed form of expressions for the RKKY indirect exchange, superconducting Cooper loop and `density-density'…