相关论文: A Physically Based Analytical Model to Predict Qua…

We analyze here the energy states and associated wave functions available to a particle acted upon by a delta function potential of arbitrary strength and sign and fixed anywhere within a one-dimensional infinite well. We consider how the…

The ab-initio computational treatment of electrochemical systems requires an appropriate treatment of the solid/liquid interfaces. A fully quantum mechanical treatment of the interface is computationally demanding due to the large number of…

Using the effective mass model for an electron and the dielectric continuum model, analytical solutions of the self-consistent Schr\"odinger-Poisson system of equations are obtained. Quantum mechanical theory of electronic stationary…

The polarizable embedding (PE) model is a fragment-based quantum-classical approach aimed at accurate inclusion of environment effects in quantum-mechanical response property calculations. The aim of this tutorial is to give insight into…

In a recent work we have proposed an original analytic expression for the partition function of the quartic oscillator. This partition function, which has a simple and compact form with {\it no adjustable parameters}, reproduces some key…

A short introduction of a relation between a Green's function and a quantum wave impedance function as well as its application to a determination of eigenenergies and eigenfunctions of a quatum-mechanical system is provided. Three different…

We present a method which computes many-electron energies and eigenfunctions by a full configuration interaction which uses a basis of atomistic tight-binding wave functions. This approach captures electron correlation as well as atomistic…

We propose a new method for calculating total energies of systems of interacting electrons, which requires little more computational resources than standard density-functional theories. The total energy is calculated within the framework of…

We present experimental magnetotunneling results and atomistic pseudopotential calculations of quasiparticle electron and hole wave functions of self-assembled InAs/GaAs quantum dots. The combination of a predictive theory along with the…

High-fidelity general-purpose numerical methods are increasingly needed to improve superconducting circuit quantum information processor performance. One challenge in developing such numerical methods is the lack of reference data to…

We report a multiscale modeling study for charged cylindrical nanopores using three modeling levels that include (1) an all-atom explicit-water model studied with molecular dynamics (MD), and reduced models with implicit water containing…

Quantization of a toy model of a pseudointegrable Hamiltonian impact system is introduced, including EBK quantization conditions, a verification of Weyl's law, the study of their wavefunctions and a study of their energy levels properties.…

Motivated by recent experimental findings in chemical synthesis of colloidal particles, we draw an analogy between self-assembly processes occurring in biological systems (e.g. protein folding) and a new exciting possibility in the field of…

We present an exact calculation of the single-electron energies and wave-functions for any bound state in a realistic Si-SiO2 spherical quantum dot, including the material dependence of the electron effective mass. The influence of dot…

Quantization of a toy model of a pseudointegrable Hamiltonian impact system is introduced, including EBK quantization conditions, a verification of Weyl's law, the study of their wavefunctions and a study of their energy levels properties.…

Using a novel self-consistent implementation of Hedin's GW perturbation theory we calculate space and energy dependent self-energy for a number of materials. We find it to be local in real space and rapidly convergent on second-- to third--…

With the rapid advent of biomedical and biotechnological innovations, a deep understanding of the nature of interaction between nanomaterials and cell membranes, tissues, and organs, has become increasingly important. Active penetration of…

The structure of nucleon self-energy in nuclear matter is evaluated for various realistic models of the nucleon-nucleon (NN) interaction. Starting from the Brueckner-Hartree-Fock approximation without the usual angle-average approximation,…

An efficient surface integral equation-based method is proposed for the analysis of electromagnetic scattering from multilayered media containing complex periodic inclusions. The proposed method defines equivalent currents at the interfaces…

The microscopic wave functions of the composite fermion theory can incorporate electron mass anisotropy by a trivial rescaling of the coordinates. These wave functions are very likely adiabatically connected to the actual wave functions of…