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A variational solution procedure is reported for the many-particle no-pair Dirac-Coulomb-Breit Hamiltonian aiming at a parts-per-billion (ppb) convergence of the atomic and molecular energies, described within the fixed nuclei…

Quantum Physics · Physics 2024-06-19 Péter Jeszenszki , Dávid Ferenc , Edit Mátyus

The Breit interaction is implemented in the no-pair variational Dirac-Coulomb (DC) framework using an explicitly correlated Gaussian basis reported in the previous paper [Paper I: P. Jeszenszki, D. Ferenc, and E. M\'atyus (2022)]. Both a…

Chemical Physics · Physics 2022-03-14 Dávid Ferenc , Péter Jeszenszki , Edit Mátyus

The sixteen-component, no-pair Dirac--Coulomb--Breit equation, derived from the Bethe--Salpeter equation, is solved in a variational procedure using Gaussian-type basis functions for the example of positronium, muonium, hydrogen atom, and…

Quantum Physics · Physics 2023-05-24 Dávid Ferenc , Edit Mátyus

The relativistic corrections for the Dirac-Coulomb system are derived through the method of non-relativistic expansion. By expanding the large and small components of the Dirac wave function and the energy eigenvalues in terms of the square…

Atomic Physics · Physics 2024-12-03 Wanping Zhou , Sanjiang Yang , Haoxue Qiao

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…

Chemical Physics · Physics 2022-09-21 Dávid Ferenc , Péter Jeszenszki , Edit Mátyus

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…

Quantum Physics · Physics 2009-11-13 Ruida Chen

Seeking for a relativistic generalisation of the non-relativistic Schroedinger equation, one very soon arrives at equations with a square-root operator by having applied the quantum mechanical correspondence principle to the formula of…

Quantum Physics · Physics 2007-05-23 Tobias Gleim

In this paper, we consider the Dirac-Coulomb equation for many-particles, to describe the interaction between electrons in the system having many electrons. The four-component wave function will expanding into a finite basis-set, using…

Quantum Physics · Physics 2019-12-10 Bilal K. Jasim , Ayad A. Al-Ani , Saad N. Abood

Dirac-Coulomb type differential equation and its solution relativistic exponential-type spinor orbitals are introduced. They provide a revised form for operator invariants, namely Dirac invariants, simplifying the treatment of the angular…

Quantum Physics · Physics 2024-04-03 Ali Bagci

The Dirac equation for an electron in two spatial dimensions in the Coulomb and homogeneous magnetic fields is discussed. For weak magnetic fields, the approximate energy values are obtained by semiclassical method. In the case with strong…

Quantum Physics · Physics 2009-11-06 Choon-Lin Ho , V. R. Khalilov

The Dirac-Coulomb equation for helium-like ions is solved using the iterative self-consistent field method, with Slater-type spinor orbitals as the basis. These orbitals inherently satisfy the kinetic-balance condition due to their coupling…

Quantum Physics · Physics 2023-10-16 A. Bağcı , P. E. Hoggan

Exact solutions are found to the Dirac equation for a combination of Lorentz scalar and vector Coulombic potentials with additional non-Coulombic parts. An appropriate linear combination of Lorentz scalar and vector non-Coulombic…

High Energy Physics - Phenomenology · Physics 2016-12-28 Antonio Soares de Castro , Jerrold Franklin

The Dirac equation is generalized to $D+1$ space-time.The conserved angular momentum operators and their quantum numbers are discussed. The eigenfunctions of the total angular momenta are calculated for both odd $D$ and even $D$ cases. The…

Atomic Physics · Physics 2009-11-07 Xiao-Yan Gu , Zhong-Qi Ma , Shi-Hai Dong

Due to some current interest in this subject we have produced this note. There is no claim to anything new, except possibly to show that a direct numerical approach is quite simple and instructive. For comparison purposes we include a…

Atomic Physics · Physics 2017-10-05 Bob Holdom , Roman Koniuk

The simplest, algebraic quantum-electrodynamical corrections, due to the double-negative energy subspace and instantaneous interactions, are computed to the no-pair energy of two-spin-1/2-fermion systems. Numerical results are reported for…

Chemical Physics · Physics 2025-12-09 Péter Jeszenszki , Edit Mátyus

Using the approach the modified Euler-Lagrange field equation together with the corresponding Seiberg-Witten maps of the dynamical fields, a noncommutative Dirac equation with a Coulomb potential is derived. We then find the noncommutative…

Mathematical Physics · Physics 2012-08-02 Lamine Khodja , Slimane Zaim

This work collects the spin-dependent leading-order relativistic and quantum-electrodynamical corrections for the electronic structure of atoms and molecules within the non-relativistic quantum electrodynamics framework. We report the…

Chemical Physics · Physics 2025-09-03 Péter Jeszenszki , Péter Hollósy , Ádám Margócsy , Edit Mátyus

Exact analytic solutions are found to the Dirac equation for a combination of Lorentz scalar and vector Coulombic potentials with additional non-Coulombic parts. An appropriate linear combination of Lorentz scalar and vector non-Coulombic…

High Energy Physics - Phenomenology · Physics 2017-08-23 A. S. de Castro , J. Franklin

Virial relations for the Dirac equation in a central field and their applications to calculations of H-like atoms are considered. It is demonstrated that using these relations allows one to evaluate various average values for a hydrogenlike…

Atomic Physics · Physics 2015-06-26 V. M. Shabaev

The authors in their previous papers obtained compact, arbitrarily accurate expressions for two-center one- and two-electron relativistic molecular integrals expressed over Slater-type orbitals. In this present study, the accuracy limits of…

Mathematical Physics · Physics 2015-10-28 A. Bagci , P. E. Hoggan
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