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
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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.
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