pith. sign in

arxiv: 1602.05425 · v1 · pith:YIZWMMAOnew · submitted 2016-02-17 · ⚛️ physics.atm-clus · physics.chem-ph

Study of adiabatic connection in density functional theory with an accurate wavefunction for 2-electron atoms

classification ⚛️ physics.atm-clus physics.chem-ph
keywords strengthaccurateatomselectroninteractionparameterpotentialsystems
0
0 comments X
read the original abstract

Using an accurate semi-analytic wavefunction for two electron atoms, we construct the external potential for varying strength of electron-electron (e-e) interaction. Using this potential we explicitly calculate the energy of their positive ion and show that the ionization-potential of these systems remains unchanged with respect to the strength parameter for e-e interaction. Furthermore, using total energies of these systems as a function of strength parameter, we provide a new perspective into a variety of hybrid functionals.

This paper has not been read by Pith yet.

discussion (0)

Sign in with ORCID, Apple, or X to comment. Anyone can read and Pith papers without signing in.