Related papers: Proton Quantum Effects on Electronic Excitation in…
Optical excitations in hexagonal nanonetwork materials, for example, Boron-Nitride (BN) sheets and nanotubes, are investigated theoretically. A permanent electric dipole moment, whose direction is from the B site to the N site, is…
Motivated by recent experimental results, we reconsider the theory of the edge excitations for the fractional Hall effect at filling factors $\nu=p/(2np+1)$. We propose to modify the standard $u(1)\otimes su(p)$ edge theory for this series…
Electron transport properties through single conjugated molecules sandwiched between two non-superconducting electrodes are studied by the use of Green's function technique. Based on the tight-binding model, we do parametric calculations to…
The main problem in theoretical analysis of structures with strong confinement is the fact that standard mathematical tools: differential equations and Fourier's transformations are no longer applicable. In this paper we have demonstrated…
The effect of dephasing on electron transport through a benzene molecule is carefully examined using a phenomenological model introduced by B\"{u}ttiker. Within a tight-binding framework all the calculations are performed based on the…
We theoretically investigate the Stark shift of the exciton goundstate in two vertically coupled quantum dots as a function of the interdot distance. The coupling is shown to enhance the tuneability of the linear optical properties,…
This comprehensive study delves into the intricate interplay between protons and organic polymers, offering insights into proton therapy in cancer treatment. Focusing on the influence of the spatial electron density distribution on stopping…
Resonant Raman scattering in semiconductor quantum dots with spherical shape is theoretically investigated. The Frohlich-like interaction between electronic states and optical vibrations has been considered. The Raman profiles are studied…
Theory of non-equilibrium Green's function (NGF) provides a practical framework for studying quantum many-body systems out of equilibrium. Extending the previous mean field approach developed for nuclear systems in one dimension with NGF,…
A many-body Green's function approach to the microscopic theory of surface-enhanced Raman scattering is presented. Interaction effects between a general molecular system and a spatially anisotropic metal particle supporting plasmon…
In this article we present a study of the effects of hydrostatic pressure on the energy levels of a quantum dot with an electron. A quantum dot is modeled using an infinite potential well and a two-dimensional harmonic oscillator and solved…
Emission from high-dipole moment molecules such as HCN allows determination of the density in molecular clouds, and is often considered to trace the "dense" gas available for star formation. We assess the importance of electron excitation…
The field of molecular electronics has emerged from efforts to understand electron propagation through single molecules and to use them in electronic circuits. Serving as a testbed for advanced theoretical methods, it reveals a significant…
Strong electron-electron interactions are known to significantly modify the electron-phonon coupling relative to the predictions of density functional theory, but this effect is challenging to calculate with realistic theories of strongly…
A first-principles coupled electron-nuclear dynamics simulation based on real-time, time-dependent density functional theory and Ehrenfest dynamics quantitatively repro-duces bimodal translational energy loss and angular distributions…
The aim of the current work is the numerical research of the anisotropic characteristics of the two-dimensional hydrogen atom induced by a magnetic field. The ground state energy (GSE) of the two-dimensional hydrogen atom and the…
We have studied the time evolution of the electron spin polarization under continuous photoexcitation in remotely n-doped semiconductor quantum wells. The doped region allows us to get the necessary excess of free electrons to form trions.…
In transitions between different environmental settings, a molecular system inevitably undergoes a range of detectable changes, and the ability to accurately simulate such responses, e.g., in the form of shifts to molecular energies,…
Many-electron effects often dramatically modify the properties of reduced dimensional systems. We report calculations, based on an many-electron Green's function approach, of electron-hole interaction effects on the optical spectra of…
Spin-polarized transport through a quantum dot strongly coupled to ferromagnetic electrodes with non-collinear magnetic moments is analyzed theoretically in terms of the non-equilibrium Green function formalism. Electrons in the dot are…