Ab-initio Green's Functions Calculations of Atoms

TL;DR

This paper applies the FRPA method to calculate atomic ground states and ionization energies, achieving high accuracy and providing insights for developing quasiparticle-DFT methods.

Contribution

It introduces the application of FRPA to simple atoms, achieving high-precision ionization energy calculations and supporting quasiparticle-DFT development.

Findings

Ionization energies agree with experiment within ~10 mH.

Method provides accurate data for simple atoms.

Supports development of quasiparticle-DFT methods.

Abstract

The Faddeev random phase approximation (FRPA) method is applied to calculate the ground state and ionization energies of simple atoms. First ionization energies agree with the experiment at the level of ~10 mH or less. Calculations with similar accuracy are expected to provide information required for developing the proposed quasiparticle-DFT method.