相关论文: Multidimensional Mesh Approaches to Calculations o…

Although many programs have been published for fully numerical Hartree--Fock (HF) or density functional (DF) calculations on atoms, we are not aware of any that support hybrid DFs, which are popular within the quantum chemistry community…

Using an accurate semi-analytic wavefunction for two electron atoms, we construct the external potential for varying strength of electron-electron (e-e) interaction. Using this potential we explicitly calculate the energy of their positive…

We present a method which enables solid-state density functional theory calculations to be applied to systems of almost unlimited size. Computations of physical effects up to the micron length scale but which nevertheless depend on the…

Considering two static, electrically charged, elementary particles, we demonstrate a possible way of proving that all known fundamental forces in the nature are the manifestations of the single, unique interaction. We re-define the gauging…

Recent experiments on two-dimensional (2D) electron systems have found a sharp increase in the effective mass of electrons with decreasing electron density. In an effort to understand this behavior we employ the many-body theory to…

We present an efficient perturbative method to obtain both static and dynamic polarizabilities and hyperpolarizabilities of complex electronic systems. This approach is based on the solution of a frequency dependent Sternheimer equation,…

The electronic response of a two-dimensional (2D) electron system represents a key quantity in discussing one-electron properties of electrons in semiconductor heterojunctions, on the surface of liquid helium and in copper-oxide planes of…

A fast and stable numerical method is formulated to compute the time evolution of a wave function in a magnetic field by solving the time-dependent Schroedinger equation. This computational method is based on the finite element method in…

The problem of two-dimensional, independent electrons subject to a periodic potential and a uniform perpendicular magnetic field unveils surprisingly rich physics, as epitomized by the fractal energy spectrum known as Hofstadter's…

We introduce a general approach for the simulation of quantum vibrational states of (symmetric and asymmetric) double-well potentials in molecules and materials for thermodynamic and spectroscopic applications. The method involves solving…

We use three dimensional time-dependent Schr\"odinger equation (3D--TDSE) to calculate angular electron momentum distributions and photoelectron spectra of atoms driven by spatially inhomogeneous fields. An example for such inhomogeneous…

We present a highly accurate method for solving single-active-electron (SAE) atomic eigenset in momentum space. The trouble of Coulomb kernel singularity is bypassed with numerical quadrature, which is simple but effective. The complicated…

A new approach using a hyperbolic-equation system (HES) is proposed to solve for the electron fluids in quasi-neutral plasmas. The HES approach avoids treatments of cross-diffusion terms which cause numerical instabilities in conventional…

The very-low temperature thermal effective mass m* of paramagnetic and ferromagnetic electrons in a uniform electron fluid in two dimensions is studied. Analytical and numerical evaluations are used to meaningfully define an m*, even in the…

A mathematical phase-space representation of the 1-dimensional Schr\"odinger equation is employed to obtain bound and resonance states of the rotationally excited H$_2$ molecule. The structure of the phase-space tangent field is analyzed…

We present a comprehensive investigation of electron capture (EC) ratios spanning a broad range of atomic numbers. The study employs a self-consistent computational method that incorporates electron screening, electron correlations, overlap…

The present review includes the description of theoretical methods for the investigations of the spectra of hydrogen-like systems. Various versions of the quasipotential approach and the method of the effective Dirac equation are…

The standard solution of the Schroedinger equation for the hydrogen atom is analyzed. Comparing with the recently established internal properties of electrons it is found, that these solutions cannot be seen as physically valid states of…

Multidimensional spectroscopy unveils the interplay of nuclear and electronic dynamics, which characterizes the ultrafast dynamics of various molecular and solid-state systems. In a class of models widely used for the simulation of such…

Using techniques of complex analysis in an algebraic approach, we solve the wave equation for a two-level atom interacting with a monochromatic light field exactly. A closed-form expression for the quasi-energies is obtained, which shows…