# Averaged electron densities of the helium-like atoms

**Authors:** Evgeny Liverts, Rajmund Krivec

arXiv: 1908.00843 · 2020-04-22

## TL;DR

This paper investigates averaging techniques for wavefunctions of helium-like atoms, deriving analytical formulas for densities and their derivatives, and providing accurate approximations for these quantum systems.

## Contribution

It introduces new averaging methods for wavefunctions and densities, deriving exact and approximate formulas for helium-like atoms with Z=1 to 5.

## Key findings

- Derived exact derivatives of averaged wavefunctions at zero
- Obtained accurate analytical approximations for densities
- Provided comprehensive tables and graphs of results

## 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 $\Psi$ of the helium-like atoms with nucleus charge $1\leq Z\leq5$ are calculated in a few coordinate systems including the hyperspherical coordinates $\left\{R,\alpha,\theta\right\}$. The wave functions $\Psi_{av}(R)$ of the hyperspherical radius $R$ are calculated numerically by averaging $\Psi$ over the hyperspherical angles $\alpha$ and $\theta$. The exact analytic representations for the relative derivatives $\Psi_{av}'(0)/\Psi_{av}(0)$ and $\Psi_{av}''(0)/\Psi_{av}(0)$ are derived. Analytic approximations very close to the actual $\Psi_{av}(R)$ are obtained. Using actual wave functions $\Psi$, the one-electron densities $\rho(r)$ are calculated as functions of the electron-nucleus distance $r$. The relevant derivatives $\rho'(0)/\rho(0)$ and $\rho''(0)/\rho(0)$ characterizing the behavior of $\rho(r)$ 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.

## Full text

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## Figures

7 figures with captions in the complete paper: https://tomesphere.com/paper/1908.00843/full.md

## References

15 references — full list in the complete paper: https://tomesphere.com/paper/1908.00843/full.md

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Source: https://tomesphere.com/paper/1908.00843