相关论文: Duo: a general program for calculating spectra of …
We compare two recently developed strategies, implemented in open source software packages, for computing linear optical spectra in condensed phase environments in the presence of nonadiabatic effects. Both approaches rely on computing…
Energy spectra, spin configurations, and entanglement characteristics of a system of four electrons in lateral double quantum dots are investigated using exact diagonalization (EXD), as a function of interdot separation, applied magnetic…
The spectrum of r-1 and r-2 type potentials of diatomic molecules in radial Schrodinger equation are calculated by using the formalism of asymptotic iteration method. The alternative method is used to solve eigenvalues and eigenfunctions of…
Dynamics of coupled spin-torque oscillators can be exploited for non-Boolean information processing. However, the feasibility of coupling large number of STOs with energy-efficiency and sufficient robustness towards parameter-variation and…
A procedure for calculation of rotation-vibration states of medium sized molecules is presented. It combines the advantages of variational calculations and perturbation theory. The vibrational problem is solved by diagonalizing a…
Wave-particle duality finds a natural application for electrons or light propagating in disordered media where coherent corrections to transport are given by two-wave interference. For scatterers with internal degrees of freedom, these…
Substances such as chemical compounds are invisible to human eyes, they are usually captured by sensing equipments with their spectral fingerprints. Though spectra of pure chemicals can be identified by visual inspection, the spectra of…
We present TUNA, an open-source quantum chemistry program specifically designed for atoms and diatomic molecules. Within this narrow molecular domain, a broad and consistent set of electronic structure methods and calculation types is…
Two-dimensional (2D) vibrational spectroscopy is a powerful means of investigating the structure and dynamics of complex molecules in condensed phases. However, even in theory, analysis of 2D spectra resulting from complex inter- and…
We calculate, in the Glauber-Mueller approach, the ratio of the diffractive dissociation cross section to the total cross section on nuclei. We observe that shadowing corrections (SC) are significant, in the calculated $\ddt$ ratio but they…
We consider two particles performing continuous-time nearest neighbor random walk on $\mathbb Z$ and interacting with each other when they are at neighboring positions. Typical examples are two particles in the partial exclusion process or…
We develop a scalable architecture for quantum computation using controllable electrons of double-dot molecules coupled to a microwave stripline resonator on a chip, which satisfies all Divincenzo criteria. We analyze the performance and…
An analytical representation for the potential energy curve for the ground state $X^1\Sigma^+$ of the hydrogen fluoride molecule (HF) is presented in the frame of the Born-Oppenheimer approximation. The analytical expression for the…
We study the problem of two harmonically trapped atoms in the presence of spin-orbital-angular-momentum (SOAM) coupling. The two-body energy spectrum is numerically calculated by utilizing the exact diagonalization method. We analyze how…
Novel equations for the electric dipole polarizability $\alpha_{_{E1}}$ of low-lying excited states in atomic nuclei -- and the related $(-2)$ moment of the total photo-absorption cross section, $\sigma_{_{-2}}$ -- are inferred in terms of…
Exploring nuclear physics through the fundamental constituents of the strong force -- quarks and gluons -- is a formidable challenge. While numerical calculations using lattice quantum chromodynamics offer the most promising approach for…
We observe multiple stable states of nuclear polarization in a double quantum dot under conditions of electron spin resonance. The stable states can be understood within an elaborated theoretical rate equation model for the polarization in…
Line-by-line calculations are becoming the standard procedure for carrying spectral simulations. However, it is important to insure the accuracy of such spectral simulations through the choice of adapted models for the simulation of key…
We consider a double quantum dot system with two embedded and non-aligned spin impurities to manipulate the magnitude and polarization of the electron spin density. The device is attached to semi-infinite one-dimensional leads which are…
We describe the spin and charge dynamics of the system of two electrons confined within a double quantum dot defined in a quantum wire. The spin dynamics is driven by the electron motion in presence of the spin-orbit interaction and the…