Related papers: Current rectification by simple molecular quantum …
Suppression of rectification at metal--Mott-insulator interfaces, which is previously shown by numerical solutions to the time-dependent Schr\"odinger equation and experiments on real devices, is reinvestigated theoretically by…
We study inelastic effects on the electronic current noise in molecular junctions, due to the coupling between transport electrons and vibrational degrees of freedom. Using a full counting statistics approach based on the generalized…
This paper aims at introducing the formal foundations of the application of reduced density-matrix theory and Green's function theory to the analysis of molecular electronic transitions. For this sake, their mechanics, applied to specific…
Quantum computation is one of the most promising new paradigms for the simulation of physical systems composed of electrons and atomic nuclei, with applications in chemistry, solid-state physics, materials science, and molecular biology.…
The leading long-distance quantum correction to the Newtonian potential for heavy spinless particles is computed in quantum gravity. The potential is obtained directly from the sum of all graviton exchange diagrams contributing to lowest…
The accurate determination of the lowest electron attachment ($EA$) and ionization ($IP$) energies for molecules embedded in molecular junctions is important for correctly estimating, \emph{e.g.}, the magnitude of the currents ($I$) or the…
Based on the non-equilibrium Green's function (NEGF) coupled with density function theory (DFT), namely, NEGF-DFT quantum transport theory, we propose an efficient formalism to calculate the transient current of molecular devices under a…
We present two efficient and intruder-free methods for treating dynamic correlation on top of general multi-configuration reference wave functions---including such as obtained by the density matrix renormalization group (DMRG) with large…
We compute next-to-next-to-leading order perturbative corrections to the decay width difference of mass eigenstates and the charge-parity asymmetry $a_{\rm fs}$ in flavour-specific decays of neutral $B$ mesons. In our calculation we take…
We present theoretical and experimental studies of Schottky diodes that use aligned arrays of single walled carbon nanotubes. A simple physical model, taking into account the basic physics of current rectification, can adequately describe…
The frontier orbital sequence of individual dicyanovinyl-substituted oligothiophene molecules is studied by means of scanning tunneling microscopy. On NaCl/Cu(111) the molecules are neutral and the two lowest unoccupied molecular states are…
We present a quantum optics theory, numerical calculations, and experiments on coupled quantumdots in semiconductor nanowire waveguides. We first present an analytical Green function theory tocompute the emitted spectra of two coupled…
We compute the two-loop virtual corrections to the flavour changing neutral current process $b --> d l^+ l^-$. As calculation techniques integration by parts identities and the method of differential equations are used. The result is…
We compute three-loop vertex corrections to $b\to s\gamma$ induced by current-current operators. The results are presented as expansions in $m_c/m_b$ with numerical coefficients which allow to cover all relevant values for the heavy quark…
We study non-equilibrium current fluctuations through a quantum dot, which includes a ferromagnetic Hund's rule coupling $J$, in the low-energy Fermi liquid regime using the renormalized perturbation theory. The resulting cumulant for the…
The original formulation (Phys. Rev. Lett. 119, 063002, 2017) of the natural orbital functional - second-order M{\o}ller-Plesset (NOF-MP2) method is based on the MP2 that uses the canonical Hartree-Fock molecular orbitals. The current work…
The low-lying energy excitations of 2-flavour QCD in the chiral limit confined to a small spatial box ($\delta$-regime) are that of an $O(4)$ rotator. In this work, we calculate the corrections due to the presence of a nonzero quark mass up…
Using the Keldysh nonequilibrium Green function technique, we study the current and shot noise spectroscopy of a single molecular quantum dot coupled to a local phonon mode. It is found that in the presence of electron-phonon coupling, in…
We calculate the nonsymmetrized current noise in a quantum dot connected to two reservoirs by using the non-equilibrium Green function technique. We show that both the current auto-correlator (inside a single reservoir) and the current…
Electron correlation in finite and extended systems is often described in an effective single-particle framework within the $GW$ approximation. Here, we use the statically screened second-order exchange contribution to the self-energy…