Related papers: Current rectification by simple molecular quantum …
Experimental measurements of electron transport properties of molecular junctions are often performed in solvents. Solvent-molecule coupling and physical properties of the solvent can be used as the external stimulus to control electric…
Many modern semiempirical molecular orbital models are built on the neglect of diatomic differential overlap (NDDO) approximation. An in-depth understanding of this approximation is therefore indispensable to rationalize the success of…
Shell corrections of the finite deformed Woods-Saxon potential are calculated using the Green's function method and the generalized Strutinsky smoothing procedure. They are compared with the results of the standard prescription which are…
The theoretical formalism of inclusive lepton-nucleus scattering in the two-nucleon emission channel is discussed in the context of a simplified approach, the modified convolution approximation. This allows one to write the 2p2h responses…
We investigate nonlinear thermal transport properties of a single interacting quantum dot with two energy levels tunnel-coupled to two electrodes using nonequilibrium Green function method and Hartree-Fock decoupling approximation. In the…
We derive a closed equation of motion for the one particle density matrix of a quantum system coupled to multiple baths using the Redfield master equation combined with a mean-field approximation. The steady-state solution may be found…
Doping compounds can be considered a perturbation to the nuclear charges in a molecular Hamiltonian. Expansions of this perturbation in a Taylor series, i.e. quantum alchemy, has been used in literature to assess millions of derivative…
The 2--point functions for $\Delta S=1$ current-current and QCD-penguin operators, as well as for the $\ds$ operator, are calculated at the next-to-leading order. The calculation is performed in two different renormalization schemes for…
Electron-phonon interactions are of great importance to a variety of physical phenomena, and their accurate description is an important goal for first-principles calculations. Isolated examples of materials and molecular systems have…
Radiative corrections are crucial for modern high-precision physics experiments, and are an area of active research in the experimental and theoretical community. Here we provide an overview of the state of the field of radiative…
In this paper we study a non-equilibrium resonant tunnelling problem where a non-interacting quantum dot is connected to two leads, one being the edge of an interacting 2-D topological insulator (Luttinger liquid) and the other being a…
We present a quaternion-inspired formalism specifically developed to evaluate the electric current that traverses a single molecule subjected to an externally applied voltage. The molecule of interest is covalently connected to two small…
We derive an exact expression for the Kubo conductunce in the Quantum Hall device with the point-like intra-edge backscattering. This involves the calculation of current-current correlator exactly, which we perform using form-factor method.…
Radiative corrections to an atom are calculated near a half-space that has arbitrarily-shaped small depositions upon its surface. The method is based on calculation of the classical Green's function of the macroscopic Maxwell equations near…
We investigate rectification of a low-frequency ac bias in Y-junctions of one-channel Luttinger liquid wires with repulsive electron interaction. Rectification emerges due to three scatterers in the wires. We find that it is possible to…
Shell corrections to the moment of inertia (MI) are calculated for a Woods-Saxon potential of spheroidal shape and at different deformations. This model potential is chosen to have a large depth and a small surface diffuseness which makes…
An approach which allows to include the corrections from non-orthogonality of electron states in contacts and quantum dots is developed. Comparison of the energy levels and charge distributions of electrons in 1D quantum dot (QD) in…
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…
Intermolecular correlations in liquid acetonitrile (CH3CN) have been revisited by calculating orientational correlation functions. In the present approach, hydrogen atoms are included, so that a concept applicable for molecules of (nearly)…
We have formulated the problem of electron transport through interacting quantum dot system in the framework of self-consistent perturbation theory, and show that the current conservation condition is guaranteed due to the gauge invariant…