Basing on the relation between the Coulomb Green function and the Green function of harmonic oscillator, the algebraic representation of the many-particle Coulomb Green function in the form of annihilation and creation operators is established. These results allow us to construct purely algebraic method for atomic calculations and thus to reduce rather complicated calculations of matrix elements to algebraic procedures of transforming the products of annihilation and creation operators to a normal form. Effectiveness of the constructed method is demonstrated through the example problem: the ground state of hydrogenic molecule. The calculation algorithm of this algebraic approach is simple and suitable for symbolic calculation programs, such as Mathematica, that widely enlarge the application field of the Coulomb Green function
The Hamiltonian of the radial Coulomb Klein-Gordon and second order Dirac equations are shown to possess an infinite symmetric tridiagonal matrix structure on the relativistic Coulomb Sturmian basis. This allows us to give an analytic representation for the corresponding Coulomb Green's operators in terms of continued fractions. The poles of the Green's matrix reproduce the exact relativistic hydrogen spectrum.
In this paper the fixed-energy amplitude (Green's function) of the relativistic Coulomb system is solved by Duru-Kleinert (DK) method. In the course of the calculations we observe an equivalence between the relativistic Coulomb system and a radial oscillator.
Closure relations satisfied by the radial Dirac-Coulomb Sturmians are proved analytically. The Sturmian expansion of the Dirac-Coulomb Green function is transformed to the form containing only series with summations running over non-negative indices. The main paper was published in J. Phys. B: At. Mol. Opt. Phys. 30 (1997) 825-61 [Erratum: 30 (1997) 2747], see also J. Phys. A: Math. Gen. 31 (1998) 4963--90 [Erratum: 31 (1998) 7415-6].
One- and two-dimensional operators which originate from the asymptotic form of the three-body Coulomb wave equation in parabolic coordinates are treated within the context of square integrable basis set. The matrix representations of Green's functions corresponding to these operators are obtained.
The square integrable basis set representation of the resolvent of the asymptotic three-body Coulomb wave operator in parabolic coordinates is obtained. The resulting six-dimensional Green's function matrix is expressed as a convolution integral over separation constants.
We evaluate the Green's function of the D-dimensional relativistic Coulomb system via sum over perturbation series which is obtained by expanding the exponential containing the potential term $V({\bf x)}$ in the path integral into a power series. The energy spectra and wave functions are extracted from the resulting amplitude.
We present a unified framework for studying Coulomb interactions in arbitrary environments using macroscopic quantum electrodynamics on the basis of the electromagnetic Green's function. Our theory can be used to derive the Coulomb potential of a single charged particle as well as that between two charges in the presence of media, bodies and interfaces of arbitrary shapes. To demonstrate this, we reproduce the well-known screened Coulomb force, account for local-field effects and consider new cases such as a dielectric cavity and a conducting plate with a hole.
We analytically evaluate the generating integral $K_{nl}(β,β') = \int_{0}^{\infty}\int_{0}^{\infty} e^{-βr - β' r'}G_{nl} r^{q} r'^{q'} dr dr'$ and integral moments $J_{nl}(β, r) = \int_{0}^{\infty} dr' G_{nl}(r,r') r'^{q} e^{-βr'}$ for the reduced Coulomb Green's function $G_{nl}(r,r')$ for all values of the parameters $q$ and $q'$, when the integrals are convergent. These results can be used in second-order perturbation theory to analytically obtain the complete energy spectra and local physical characteristics such as electronic densities of multi-electron atoms or ions.
We present an alternative, univocal characterization of the continuous transition from atomic to molecular shape in the Coulomb system constituted by two identical particles and a third particle with the opposite charge, as the mass ratio of the particles varies. Applying a marginal-conditional exact factorization to a variationally optimized wavefunction, we construct a nonadiabatic potential energy surface for the relative motion between the single particle and each of the identical particles in the ground state. The transition is revealed through the evolution with the mass ratio of the top…
Exact calculation of electronic properties of molecules is a fundamental step for intelligent and rational compounds and materials design. The intrinsically graph-like and non-vectorial nature of molecular data generates a unique and challenging machine learning problem. In this paper we embrace a learning from scratch approach where the quantum mechanical electronic properties of molecules are predicted directly from the raw molecular geometry, similar to some recent works. But, unlike these previous endeavors, our study suggests a benefit from combining molecular geometry embedded in the Cou…
A purely group-theoretical approach (for which the symmetric group plays a central rôle), based upon the use of properties of fractional-parentage coefficients and isoscalar factors, is developed for the derivation of the Coulomb energy averaged over the states, with a definite spin, arising from an atomic configuration $n \ell^N$.
We present the analytical solution in closed form for the semiclassical limit of the quantum mechanical Coulomb Green function in position space in n dimensions. We utilize a projection method which has its roots in Lambert's theorem and which allows us to treat the system as an essentially one dimensional problem. The semiclassical result assumes a simple analytical form and is well suited for a numerical evaluation. The method can also be extended to classically forbidden space regions. Already for moderately large principal quantum numbers nu >= 5, the semiclassical Green function is found …
Spontaneous emission and Lamb shift of atoms in absorbing dielectrics are discussed. A Green's-function approach is used based on the multipolar interaction Hamiltonian of a collection of atomic dipoles with the quantised radiation field. The rate of decay and level shifts are determined by the retarded Green's-function of the interacting electric displacement field, which is calculated from a Dyson equation describing multiple scattering. The positions of the atomic dipoles forming the dielectrics are assumed to be uncorrelated and a continuum approximation is used. The associated unphysical …
For solving the $2\to 2,3$ three-body Coulomb scattering problem the Faddeev-Merkuriev integral equations in discrete Hilbert-space basis representation are considered. It is shown that as far as scattering amplitudes are considered the error caused by truncating the basis can be made arbitrarily small. By this truncation also the Coulomb Green's operator is confined onto the two-body sector of the three-body configuration space and in leading order can be constructed with the help of convolution integrals of two-body Green's operators. For performing the convolution integral an integration co…
Bound state solutions of the Schrödinger equation for the atomic systems interacting with the radial screened Coulomb potential: analytical approximation methods
University of Batna I（巴特纳第一大学）；University of Biskra（比斯克拉大学）；University of Khenchela
In this work we perform a Green's function analysis of giant-dipole systems. First we derive the Green's functions of different magnetically field-dressed systems, in particular of electronically highly excited atomic species in crossed electric and magnetic fields, so-called giant-dipole states. We determine the dynamical polarizability of atomic giant-dipole states as well as the adiabatic potential energy surfaces of giant-dipole molecules in the framework of the Green's function approach. Furthermore, we perform an comparative analysis of the latter to and exact diagonalization scheme and …
It usually writes the boundary condition of the wave equation in the Coulomb field as a rough form without considering the size of the atomic nucleus. The rough expression brings on that the solutions of the Klein-Gordon equation and the Dirac equation with the Coulomb potential are divergent at the origin of the coordinates, also the virtual energies, when the nuclear charges number Z > 137, meaning the original solutions do not satisfy the conditions for determining solution. Any divergences of the wave functions also imply that the probability density of the meson or the electron would rapi…
Ion Coulomb crystals (ICC), formed by atomic ions at low temperatures in radiofrequency and Penning ion traps, are structures that have remarkable properties and many applications. Images of Coulomb crystals are striking and reveal the crystal structure, which arises from a balance between the trapping forces acting on the ions and their mutual Coulomb repulsion. Applications of these structures range from frequency standards and quantum simulation through to measurement of the cross sections of chemical reactions of ions.
The method of many-body Green's functions is developed for arbitrary systems of electrons and nuclei starting from the full (beyond Born-Oppenheimer) Hamiltonian of Coulomb interactions and kinetic energies. The theory presented here resolves the problems arising from the translational and rotational invariance of this Hamiltonian that afflict the existing many-body Green's function theories. We derive a coupled set of exact equations for the electronic and nuclear Green's functions and provide a systematic way to approximately compute the properties of arbitrary many-body systems of electrons…
