相关论文: Multidimensional Mesh Approaches to Calculations o…
We report on a theoreticl study of the electronic structure of quasiperiodic, quasi-one-dimensional systems where fully three dimensional interaction potentials are taken into account. In our approach, the actual physical potential acting…
Using singlet S states of the helium atom as an example, I describe precise calculation of energy levels in few-electron atoms. In particular, a complete set of effective operators is derived which generates O(m*alpha^6) relativistic and…
The quasi-neutral hybrid model with kinetic ions and fluid electrons is a promising approach for bridging the inherent multi-scale nature of many problems in space and laboratory plasmas. Here, a novel, implicit, particle-in-cell based…
A general variational approach for computing the rovibrational dynamics of polyatomic molecules in the presence of external electric fields is presented. Highly accurate, full-dimensional variational calculations provide a basis of…
The Dirac equation for an electron in two spatial dimensions in the Coulomb and homogeneous magnetic fields is discussed. For weak magnetic fields, the approximate energy values are obtained by semiclassical method. In the case with strong…
A double-atom partitioning of the molecular one-electron density matrix is used to describe atoms and bonds. All calculations are performed in Hilbert space. The concept of atomic weight functions (familiar from Hirshfeld analysis of the…
We discuss the equations for the bound one-active electron states based on the analytic solutions of the Schrodinger and Pauli equations for a uniform magnetic field and a single attractive $\delta({\bf r})$-potential. It is vary important…
We report the computational discovery of complex, topologically charged, and spectrally stable states in three-dimensional multi-component nonlinear wave systems of nonlinear Schr{\"o}dinger type. While our computations relate to…
Electromagnetic fields with complex spatial variation routinely arise in Nature. We study the response of a small molecule to monochromatic fields of arbitrary three-dimensional geometry. First, we consider the allowed configurations of the…
The multiconfiguration Dirac-Hartree-Fock (MCDHF) model has been employed to calculate the expectation values for the hyperfine splittings of the 5d96s2 2D3/2 and 5d96s2 2D5/2 levels of atomic gold. One-, two-, and three-body electron…
Exploratory variational pseudopotential density functional calculations are performed for the electronic properties of many-electron systems in the 3D cartesian coordinate grid (CCG). The atom-centered localized gaussian basis set,…
Relations between particle and wave properties for charge carriers in periodic potentials of crystalline metals and semiconductors are derived. The particle aspects of electrons and holes in periodic potentials are considered using…
We study the system of two ultracold atoms in a three-dimensional (3D) or two-dimensional (2D) completely anisotropic harmonic trap. We derive the algebraic equation J_{3D}(E) = 1/a_{3D} (J_{2D}(E) = ln a_{2D}) for the eigen-energy E of…
We present an approach for self-consistent calculations of the many-body Green function in transition metals. The distinguishing feature of our approach is the use of the one-site approximation and the self-consistent quasiparticle wave…
Precise tracking and measurement of the energy carried by the individual magnetohydrodynamic (MHD) modes has important implications and utility in astrophysical and laboratory plasmas. Previously, this was only achievable in limited linear…
An accurate and efficient numerical simulation approach to electromagnetic wave scattering from two-dimensional, randomly rough, penetrable surfaces is presented. The use of the M\"uller equations and an impedance boundary condition for a…
The symmetry studies of Maxwell equations gave new insight on the nature of electromagnetic (EM) field. It has in general case quaternion single structure, consisting of four independent field constituents, which differ with each other by…
Analytic and approximate solutions for the energy eigenvalues generated by the hyperbolic potentials $V_m(x)=-U_0\sinh^{2m}(x/d)/\cosh^{2m+2}(x/d),\,m=0,1,2,\dots$ are constructed. A byproduct of this work is the construction of polynomial…
Exceptional points are special parameter points in spectra of open quantum systems, at which resonance energies degenerate and the associated eigenvectors coalesce. Typical examples are Rydberg systems in parallel electric and magnetic…
We consider a non-relativistic two-dimensional (2D) hydrogen-like atom in a weak, static, uniform magnetic field perpendicular to the atomic plane. Within the framework of the Rayleigh-Schr\"odinger perturbation theory, using the Sturmian…