Related papers: Electronic structure calculations with interpolati…
With a current-splitting technique, we calculate the gauge-invariant initial-state radiation to order \oalf\ with soft-photon exponentiation for on- and off-shell $W$-pair production. This result generalizes the convolution formula, which…
We write Schr\"odinger equation for the Coulomb potential in both de Sitter and Anti-de Sitter spaces using the Extended Uncertainty Principle formulation. We use the Nikiforov-Uvarov method to solve the equations. The energy eigenvalues…
We solve the coordinate space Faddeev equations in the continuum. We employ hyperspherical coordinates and provide analytical expressions allowing easy computation of the effective potentials at distances much larger than the ranges of the…
The construction of the Extended Hilbert Space (EHS) is presented in the form of a direct sum of the spaces of vectors of finite and infinite norms as the main space in the mathematical formalism of quantum mechanics of a multielectron…
We substantiate the need for account of the proper electromagnetic field of the electron in the canonical problem of hydrogen in relativistic quantum mechanics. From mathematical viewpoint, the goal is equivalent to determination of the…
The interplay of electronic and nuclear degrees of freedom presents an outstanding problem in condensed matter physics and chemistry. Computational challenges arise especially for large systems, long time scales, in nonequilibrium, or in…
We use special quadrature formulas for singular and hypersingular integral to numerically solve the Schr\"{o}dinger equation in momentum space with the linear confinement potential, Coulomb and Cornell potentials. It is shown that the…
Relativistic dipolar to hexadecapolar polarizabilities of the ground state and some excited states of hydrogenic atoms are calculated by using numerically exact energies and wave functions obtained from the Dirac equation with the…
An important tool in studying the sub-femtoscale spacetime structure of matter in ultrarelativistic heavy-ion collisions is Hanbury-Brown-Twiss (HBT) intensity interferometry of identical particles in the final state of such collisions. We…
We derive formulas for the Coulomb matrix within the full-potential linearized augmented-plane-wave (FLAPW) method. The Coulomb matrix is a central ingredient in implementations of many-body perturbation theory, such as the Hartree-Fock and…
For the $S$ states of two-electron atoms, we introduce an exact and unique factorization of the internal eigenfunction in terms of a marginal amplitude, which depends functionally on the electron-nucleus distances $r_1$ and $r_2$, and a…
We report the results of a first-principles study of dissociative electron attachment to H2O. The cross sections are obtained from nuclear dynamics calculations carried out in full dimensionality within the local complex potential model by…
We present an efficient \textit{ab initio} method for calculating the electronic structure and total energy of strongly correlated electron systems. The method extends the traditional Gutzwiller approximation for one-particle operators to…
A tight binding supercell approach is used for the calculation of the electronic structure of the (111) LaAlO$_3$/SrTiO$_3$ interface. The confinement potential at the interface is evaluated solving a discrete Poisson equation by means of…
We describe a method of solving the nuclear Skyrme-Hartree-Fock problem by using a deformed Cartesian harmonic oscillator basis. The complete list of expressions required to calculate local densities, total energy, and self-consistent…
The possibility of laser cooling and the presence of closely spaced rovibrational doublets make polyatomic molecules an attractive platform for the $\mathcal{P}$, $\mathcal{T}$-violation searches. We study the spectrum of the lowest…
Quantum chemistry is regarded to be one of the first disciplines that will be revolutionized by quantum computing. Although universal quantum computers of practical scale may be years away, various approaches are currently being pursued to…
Recent trends of ab initio studies and progress in methodologies for electronic structure calculations of strongly correlated electron systems are discussed. The interest for developing efficient methods is motivated by recent discoveries…
We compute ground-state and dynamical properties of $^4$He and $^{16}$O nuclei using as input high-resolution, phenomenological nucleon-nucleon and three-nucleon forces that are local in coordinate space. The nuclear Schr\"odinger equation…
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--…