DFT reactivity indices in confined many-electron atoms

Many- Electron Harmonium Atoms

Many-electron tunneling in atoms

A theoretical derivation is given for the formula describing N -electron ionization of atom by a dc field and laser radiation in tunneling regime. Numerical examples are presented for noble gases atoms. PACS numbers: 32.80.Fb, 87.64.Lg.

Atoms in boxes: from confined atoms to electron-atom scattering

We show that both confined atoms and electron-atom scattering can be described by a unified basis set method. The central idea behind this method is to place the atom inside a hard potential sphere, enforced by a standard Slater type basis set multiplied by a cutoff factor. For confined atoms, where the wall is placed close to the atomic nucleus, we show how the energy of the highest occupied a...

Relaxation effect and radiative corrections in many-electron atoms

We illuminate the importance of a self-consistent many-body treatment in calculations of vacuum polarization corrections to the energies of atomic orbitals in many-electron atoms. Including vacuum polarization in the atomic Hamiltonian causes a readjustment (relaxation) of the electrostatic self-consistent field. The induced change in the electrostatic energies is substantial for states with th...

Breit Interaction and Parity Non-conservation in Many-Electron Atoms

We present accurate ab initio non-perturbative calculations of the Breit correction to the parity non-conserving (PNC) amplitudes of the 6s−7s and 6s−5d3/2 transitions in Cs, 7s−8s and 7s−6d3/2 transitions in Fr, 6s − 5d3/2 transition in Ba , 7s − 6d3/2 transition in Ra , and 6p1/2 − 6p3/2 transition in Tl. The results for the 6s− 7s transition in Cs and 7s− 8s transition in Fr are in good agre...