Recurrence formulae for arbitrary hydrogenic radial matrix elements are obtained in the Dirac form of relativistic quantum mechanics. Our approach is inspired on the relativistic extension of the second hypervirial method that has been succesfully employed to deduce an analogous relationship in non relativistic quantum mechanics. We obtain first the relativistic extension of the second hypervirial and then the relativistic recurrence relation. Furthermore, we use such relation to deduce relativistic versions of the Pasternack-Sternheimer rule and of the virial theorem.
The triplet contribution is computed to the 1 and 2 $^1S^\text{e}_0$ states of the He atom, to the $1\ ^1S^\text{e}_0$ state of the Li$^+$ and Be${^{2+}}$ ions, and to the $X\ ^1Σ_\text{g}^+$ ground state of the H$_2$ molecule by extensive use of double-group symmetry (equivalent to $LS$ coupling for the atomic systems) during the course of the variational solution of the no-pair Dirac-Coulomb-Breit wave equation. The no-pair Dirac-Coulomb-Breit energies are converged within a sub-parts-per-billion relative precision using an explicitly correlated Gaussian basis optimized to the non-relativist…
A Comparative Study of Correlation and Relativistic Effects on Atomic Ionization Energy
Damascus University（大马士革大学）；Higher Institute for Laser Research and Applications, Damascus University（大马士革大学激光研究与高等研究院）；International University for Science and Technology（国际科学技术大学）；Antioch Syrian University（安条克叙利亚大学）
This article develops a variational formulation for the relativistic Klein-Gordon equation. The main results are obtained through an extension of the classical mechanics approach to a more general context, which in some sense, includes the quantum mechanics one. For the second part of the text, the definition of normal field and its relation with the wave function concept play a fundamental role in the main results establishment. Among the applications, we include a model with the presence of electromagnetic fields and also the modeling of a chemical reaction. Finally, in the last section, we …
The shift of atomic energy levels due to hadronic vacuum polarization is evaluated in a semiempirical way for hydrogenlike ions and for muonic hydrogen. A parametric hadronic polarization function obtained from experimental cross sections of $e^-e^+$ annihilation into hadrons is applied to derive an effective relativistic Uehling potential. The energy corrections originating from hadronic vacuum polarization are calculated for low-lying levels using analytical Dirac-Coulomb wave functions, as well as bound wave functions accounting for the finite nuclear size. Closed formulas for the hadronic …
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 attributed to higher-order relativistic, also called non-radiative quantum electrodynamics (QED), corrections of the perturbative approach that are automatically included in the variational solution of the no-pair Dirac$-$Coulomb$-$Breit (DCB) equation to all orders of the $α$ fine-structure constant. The analysis of the polynomial $α$ dependence of the DCB ene…
Following detailed analysis of relativistic, QED and mass corrections for helium-like and lithium-like ions with static nuclei for $Z \leq 20$ the domain of applicability of Non-Relativistic QED (NRQED) is localized for ground state energy. It is demonstrated that for both helium-like and lithium-like ions with $Z \leq 20$ the finite nuclear mass effects do not change 4-5 significant digits (s.d.), and the leading relativistic and QED effects leave unchanged 3-4 s.d. in the ground state energy. It is shown that the non-relativistic ground state energy can be interpolated with accuracy not less…
In this paper we analyze a recently proposed approach for the construction of antisymmetric functions for atomic and molecular systems. It is based on the assumption that the main problems with Hartree-Fock wavefunctions stem from their lack of proper permutation symmetry. This alternative building approach is based on products of a space times a spin function with opposite permutation symmetry. The main argument for devising such factors is that the eigenfunctions of the non-relativistic Hamiltonian are either symmetric or antisymmetric with respect to the transposition of the variables of a …
Atomic properties such as field shift constants, magnetic dipole and electric quadrupole hyperfine structure constants, Landé $g_J$ factors, and electric quadrupole moments that are described by electronic operators with different ranks and radial behaviors are studied and the role of electron correlation effects in their determination are investigated. We have adopted the Dirac-Hartree-Fock method, the second- and third-order relativistic many-body perturbation theories, and an all-order relativistic many-body method in the coupled-cluster theory framework considering only the linearized term…
The Rydberg formula along with the Ritz quantum defect ansatz has been a standard theoretical tool used in atomic physics since before the advent of quantum mechanics, yet this approach has remained limited by its non-relativistic foundation. Here I present a long-distance relativistic effective theory describing hydrogen-like systems with arbitrary mass ratios, thereby extending the canonical Ritz-like approach. Fitting the relativistic theory to the hydrogen energy levels predicted by bound-state QED indicates that it is superior to the canonical, nonrelativistic approach. An analytic analys…
A novel quantum time dilation effect is shown to arise when a clock moves in a quantum superposition of two relativistic velocities. This effect is argued to be measurable using existing atomic interferometry techniques, potentially offering a new test of relativistic quantum theory.
