Electron affinity calculations on NH−2, PH−2, CN−, SH−, OH−, Cl−, and F−: Basis sets and direct vs indirect methods

Direct versus indirect many-body methods

Direct versus indirect many-body methods for calculating vertical electron affinities: applications to F−, OH− , NH2−, CN−, Cl−, SH− and PH2−

✍ J.V. Ortiz 📂 Article 📅 1987 🏛 Elsevier Science 🌐 English ⚖ 487 KB

Electron propagator theory (EPT) is applied to calculating vertical ionization energies of the anions F-, Cl-, OH-, SH-, NH,, PH,-and CN-. Third-order and outer valence approximation (OVA) quasiparticle calculations are compared with AMBPT( 4) (MBPT, many-body perturbation theory) results using the