Related papers: The Exact Potential Driving the Electron Dynamics …
Continuum states of the Dirac equation are calculated numerically for the electrostatic field generated by the charge distribution of an atomic nucleus. The behavior of the wave functions of an incoming electron with a given asymptotic…
An efficient all-electron G$^0$W$^0$ method and a quasiparticle selfconsistent GW (QSGW) method for molecules are proposed in the molecular orbital space with the full random phase approximation. The convergence with basis set is examined.…
Direct laser acceleration has proven to be an efficient source of high-charge electron bunches and high brilliance X-rays. However, an analytical description of the acceleration in the interaction with varying plasma density targets is…
Previously we found a unique quantum system with a positive gauge-invariant Weyl-Stratonovich quasi-probability density function which can be defined by the so-called {\guillemotleft}quadratic funnel{\guillemotright} potential [Phys. Rev. A…
An analytic expansion of the exact one-electron momentum density of the Hooke's atom is derived for the case k = 1/4. Electron correlation is shown to have opposite effects on the momentum density, compared with the Moshinsky's atom, but is…
We present a new density-functional method of the self-consistent electronic-structure calculation which does not exploit any local density approximations (LDA). We use the exchange-correlation energy which consists of the exact exchange…
The formalism of exact 1D quantization is reviewed in detail and applied to the spectral study of three concrete Schr\"odinger Hamiltonians $[-\d^2/\d q^2 + V(q)]^\pm$ on the half-line $\{q>0\}$, with a Dirichlet (-) or Neumann (+)…
An embedding method for solving the time-dependent Schr\"odinger equation is developed using the Dirac-Frenkel variational principle. Embedding allows the time-evolution of the wavefunction to be calculated explicitly in a limited region of…
A set of factorization energies is introduced, giving rise to a generalization of the Schr\"{o}dinger (or Infeld and Hull) factorization for the radial hydrogen-like Hamiltonian. An algebraic intertwining technique involving such…
We calculate the spatial entanglement between two electrons trapped in a nanostructure for a broad class of confinement potentials, including single and double quantum dots, and core-shell quantum dot structures. By using a parametrized…
Constructing a self-consistent first-principles framework that accurately predicts the properties of electron transfer reactions through finite-temperature molecular dynamics simulations is a dream of theoretical electrochemists and…
Progress toward the solution of the strongly correlated electron problem has been stymied by the exponential complexity of the wave function. Previous work established an exact two-body exponential product expansion for the ground-state…
The stationary 1D Schr\"odinger equation with a polynomial potential $V(q)$ of degree N is reduced to a system of exact quantization conditions of Bohr-Sommerfeld form. They arise from bilinear (Wronskian) functional relations pairing…
We study numerically stabilization against ionization of a fully correlated two-electron model atom in an intense laser pulse. We concentrate on two frequency regimes: very high frequency, where the photon energy exceeds both, the…
A review of some recently developed methods of calculating multiple differential cross-sections of photoionization and electron impactionization of atoms and molecules having two active electrons is presented. The methods imply original…
We have developed a new simple method to build the exact analytical expression of the eigenenergy as a function of the potential. The idea of our method is mainly based on the partitioning of the potential curve, solving the Schr\"odinger…
We calculate the exact Kohn-Sham potential that describes, within time-dependent density-functional theory, the propagation of an electron quasiparticle wavepacket of non-zero crystal momentum added to a ground-state model semiconductor.…
Atomic effective one-electron potentials in a compact analytic form in terms of a few Gaussian charge distributions are developed, for Hydrogen through Nobelium, for starting molecular electronic structure calculations by a simple…
The time-dependent Dirac equation can be solved exactly for ionization induced by ultrarelativistic heavy ion collisions. Ionization calculations are carried out in such a framework for a number of representative ion-ion pairs. For each…
Intense-field ionization of the hydrogen molecular ion by linearly-polarized light is modelled by direct solution of the fixed-nuclei time-dependent Schr\"odinger equation and compared with recent experiments. Parallel transitions are…