Related papers: Current rectification by simple molecular quantum …
Using non-equilibrium Green's functions, we derive a formula for the electron current through a lead-molecule-lead nanojunction where the interactions are not restricted to the central region, but are spread throughout the system, including…
We investigate the rectification of heat current carried by electrons through a double quantum dot (DQD) system under a temperature bias. The DQD can be realized by molecules such as suspended carbon nanotube and be described by the…
We investigate theoretically and experimentally the statistical properties of dc current through an open quantum dot subject to ac excitation of a shape-defining gate. The symmetries of rectification current and photovoltaic current with…
We compute the critical Josephson current through a single-molecule junction. As a model for a molecule with a bistable conformational degree of freedom, we study an interacting single-level quantum dot coupled to a two-level system and…
We investigate the conformation-dependent electron transfer in a biphenyl molecule within a simple tight-binding framework. The overall junction current and circular currents in two benzene rings driven by applied bias voltage are…
Sequential tunneling model is used to study electron transport in molecular rectifiers based on structures of donor-bridge-acceptor type. The device is made of two metallic electrodes connected by a molecule, which contains acceptor and…
Using a Fermi liquid approach, we provide a comprehensive treatment of the current and current noise through a quantum dot whose low-energy behaviour corresponds to an SU($N$) Kondo model, focusing on the case N=4 relevant to carbon…
We develop nonequilibribrium Green's function based transport theory, which includes effects of nonadiabatic nuclear motion in the calculation of the electric current in molecular junctions. Our approach is based on the separation of slow…
We propose to measure the superradiance effect by observing the current through a semiconductor double-dot ststem. An electron and a hole are injected separately into one of the quantum dots to form an exciton and then recombine…
Ab initio methods based on the second-order and higher connected moments, or cumulants, of a reference function have seen limited use in the determination of correlation energies of chemical systems throughout the years. Moment-based…
Semiclassical spin-coherent kinetic equations can be derived from quantum theory with many different approaches (Liouville equation based approaches, nonequilibrium Green's functions techniques, etc.). The collision integrals turn out to be…
Nucleon electric dipole moments originating from strong CP-violation are being calculated by several groups using lattice QCD. We revisit the finite volume corrections to the CP-odd nucleon matrix elements of the electromagnetic current,…
The curvature of field emitter tips leads to an altered tunneling potential that assumes significance when the radius of curvature is small. We provide here an analytical curvature-corrected formula for the field emission current from…
Approximate natural orbitals are investigated as a way to improve a Monte Carlo configuration interaction (MCCI) calculation. We introduce a way to approximate the natural orbitals in MCCI and test these and approximate natural orbitals…
We investigate the power-suppressed corrections to the fragmentation functions of the current jet in non-singlet deep inelastic lepton-hadron scattering. The current jet is defined by selecting final-state particles in the current…
We present a relativistic correction scheme to improve the accuracy of 1s core-level binding energies calculated from Green's function theory in the $GW$ approximation, which does not add computational overhead. An element-specific…
We study bistability in the electron transport through a ring of N coupled quantum dots with two orbitals in each dot. One orbital is localized (called b orbital) and coupling of the b orbitals in any two dots is negligible; the other is…
We analyze non-equilibrium current transport in molecular electronic devices, using as an example devices formed by two terphenyl dithiol molecules attached to gold electrodes. Using a first-principles based self-consistent matrix Green's…
The Liouville-space Green function formalism is used to compute the current density profile across a single molecule attached to electrodes. Time ordering is maintained in real, physical, time, avoiding the use of artificial time loops and…
Asymmetric current--voltage ($I(V)$) curves, known as the diode or rectification effect, in one--dimensional electronic conductors can have their origin from scattering off a single asymmetric impurity in the system. We investigate this…