The potential energy curve for the metastable 4IIg state of the He −2 anion is obtained from fully numerical Hartree–Fock (HF) calculations and is used to evaluate the spectroscopic constants. The resonant 4Σ +g state of He −2 and the excited a3Σ +u state of He2 are also investigated. The 〈R2〉 expectation value calculated for numerical orbitals indicates a diffuse character of the anion wave functions.
ASJC Scopus subject areas
- Atomic and Molecular Physics, and Optics
- Condensed Matter Physics
- Physical and Theoretical Chemistry