English

Averaged electron densities of the helium-like atoms

Atomic Physics 2020-04-22 v1

Abstract

Different kinds of averaging of the wavefunctions/densities of the two-electron atomic systems are investigated. Using the Pekeris-like method, the ground state wave functions Ψ\Psi of the helium-like atoms with nucleus charge 1Z51\leq Z\leq5 are calculated in a few coordinate systems including the hyperspherical coordinates {R,α,θ}\left\{R,\alpha,\theta\right\}. The wave functions Ψav(R)\Psi_{av}(R) of the hyperspherical radius RR are calculated numerically by averaging Ψ\Psi over the hyperspherical angles α\alpha and θ\theta. The exact analytic representations for the relative derivatives Ψav(0)/Ψav(0)\Psi_{av}'(0)/\Psi_{av}(0) and Ψav(0)/Ψav(0)\Psi_{av}''(0)/\Psi_{av}(0) are derived. Analytic approximations very close to the actual Ψav(R)\Psi_{av}(R) are obtained. Using actual wave functions Ψ\Psi, the one-electron densities ρ(r)\rho(r) are calculated as functions of the electron-nucleus distance rr. The relevant derivatives ρ(0)/ρ(0)\rho'(0)/\rho(0) and ρ(0)/ρ(0)\rho''(0)/\rho(0) characterizing the behavior of ρ(r)\rho(r) near the nucleus are calculated numerically. Very accurate analytical approximations, representing the actual one-electron density both near the nucleus and far away from it, are derived. All the analytical and numerical results are supplemented with tables and graphs.

Keywords

Cite

@article{arxiv.1908.00843,
  title  = {Averaged electron densities of the helium-like atoms},
  author = {Evgeny Liverts and Rajmund Krivec},
  journal= {arXiv preprint arXiv:1908.00843},
  year   = {2020}
}

Comments

29 pages, 7 figures, 3 tables