✦ LIBER ✦
Fock space multi-reference coupled-cluster study of excitation energies and dipole oscillator strengths of ozone
✍ Scribed by Maria Barysz; Magnus Rittby; Rodney J. Bartlett
- Publisher
- Elsevier Science
- Year
- 1992
- Tongue
- English
- Weight
- 539 KB
- Volume
- 193
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
✦ Synopsis
The singlet and triplet excitation energies are investigated by the Fock space multi-reference coupled-cluster method. A procedure for evaluating dipole transition moments and oscillator strengths is also presented and applied. Good agreement is achieved for excitation energies and transition moments where experimental data are known.