Related papers: Compact variational wave functions for bound state…
We study the properties of three-body resonances using a lattice complex scalar $\varphi^4$ theory with two scalars, with parameters chosen such that one heavy particle can decay into three light ones. We determine the two- and three-body…
Most modern calculations of many-electron atoms use basis sets of atomic orbitals. An accurate account for the electronic correlations in heavy atoms is very difficult computational problem and optimization of the basis sets can reduce…
Variational and perturbative relativistic energies are computed and compared for two-electron atoms and molecules with low nuclear charge numbers. In general, good agreement of the two approaches is observed. Remaining deviations can be…
We present a variational augmentation procedure to optimize the exponents of Gaussian continuum basis sets for simulating strong-field laser ionization phenomena such as higher harmonic generation (HHG) in atoms and ions using the…
The application of the hyperspherical harmonic approach to the case of non-local two-body potentials is described. Given the properties of the hyperspherical harmonic functions, there are no difficulties in considering the approach in both…
We derive from first principles third post-Newtonian (3PN) accurate Keplerian-type parametric solution to describe PN-accurate dynamics of non-spinning compact binaries in hyperbolic orbits. Orbital elements and functions of the parametric…
In this communication, we present an efficient method for computation of energy and wave function of weakly bound nuclei by the application of supersymmetric quantum mechanics (SSQM) and bound states in continuum (BIC) technique. As a case…
A precise study within variational approach of the basic properties of the three-particle spectrum and structure functions with Gaussian potential near the critical coupling constant of interaction where the Efimov effect takes place is…
The resonance states of one- and two-particle Hamiltonians are studied using variational expansions with real basis-set functions. The resonance energies, $E_r$, and widths, $\Gamma$, are calculated using the density of states and an…
The method of McCurdy, Baertschy, and Rescigno, J. Phys. B, 37, R137 (2004) is generalized to obtain a straightforward, surprisingly accurate, and scalable numerical representation for calculating the electronic wave functions of molecules.…
The Hamiltonian of electrons interacting with interface phonons in three-barrier resonant tunneling structure is established using the first principles within the models of effective mass and polarization continuum. Using the Green's…
We present an analytical model which permits the calculation of effective material parameters for planar metamaterials consisting of arbitrary unit cells (metaatoms) formed by a set of straight wire sections of potentially different shape.…
It is shown how the Canonical Function approach can be used to obtain accurate solutions for the distorted wave problem taking account of direct static and polarisation potentials and exact non-local exchange. Calculations are made for…
Variational (Rayleigh-Ritz) methods are applied to local quantum field theory. For scalar theories the wave functional is parametrized in the form of a superposition of Gaussians and the expectation value of the Hamiltonian is expressed in…
The non-relativistic three-body Schr\"odinger equation of the heteronuclear molecular ion HD$^+$ is solved in perimetric coordinates using the Lagrange-mesh method. Energies and wave functions of the four lowest vibrational bound or…
The projection of the eigenfunctions obtained in standard plane-wave first-principle electronic-structure calculations into atomic-orbital basis sets is proposed as a formal and practical link between the methods based on plane waves and…
Based on a simplest molecular orbital theory of H$_{2}^{+}$, a three-parameter model potential function is proposed to describe ground-state diatomic systems with closed-shell and/or S-type valence-shell constituents over a significantly…
In an earlier work [S. Kastha et al., PRD {\bf 98}, 124033 (2018)], we developed the {\it parametrized multipolar gravitational wave phasing formula} to test general relativity, for the non-spinning compact binaries in quasi-circular orbit.…
Removal energies and hyperfine constants of the lowest four $ns, np_{1/2}$ and $np_{3/2}$ states in Na, K, Rb and Cs are calculated; removal energies of the n=7--10 states and hyperfine constants of the n=7 and 8 states in Fr are also…
A novel Gaussian-Sinc mixed basis set for the calculation of the one-electron electronic structure within a uniform magnetic field in three dimensions is presented. The one-electron system is used to demonstrate the utility of this new…