✦ LIBER ✦
Excitation energies, transition moments and dynamic polarizabilities for CH+. A comparison of multiconfigurational linear response and full configuration interaction calculations
✍ Scribed by Jeppe Olsen; Alfredo M.Sánchez De Meŕas; Hans Jørgen Aa. Jensen; Poul Jørgensen
- Publisher
- Elsevier Science
- Year
- 1989
- Tongue
- English
- Weight
- 582 KB
- Volume
- 154
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
✦ Synopsis
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 and the active orbital space that gives results close to the full configuration interaction limit has been established.