A comparison of variational and non-variational internally contracted multiconfiguration-reference configuration interaction calculations

Excitation energies, transition moments

Excitation energies, transition moments and dynamic polarizabilities for CH+. A comparison of multiconfigurational linear response and full configuration interaction calculations

✍ Jeppe Olsen; Alfredo M.Sánchez De Meŕas; Hans Jørgen Aa. Jensen; Poul Jørgensen 📂 Article 📅 1989 🏛 Elsevier Science 🌐 English ⚖ 582 KB

Using a split valence with diffuse and polarization functions full configuration interaction excitation energies, transition moments and polarizabilities have been calculated for CH+. Comparisons have been made with multiconfiguration linear response calculations for various active orbital spaces an