## Abstract Restricted‐spin coupled‐cluster single‐double plus perturbative triple excitation {RCCSD(T)} potential energy functions (PEFs) of the $ \tilde X $^2^B~2~ state of ScO~2~ and the $ \tilde X $^1^A~1~ state of ScO~2~^−^ were computed, employing the augmented correlation‐consistent polarize
✦ LIBER ✦
A Combined Ab Initio/Franck–Condon Study of the ÖX̃ Single-Vibronic-Level Emission Spectrum of CCl2 and the Photodetachment Spectrum of CCl2−
✍ Scribed by John M. Dyke; Edmond P. F. Lee; Daniel K. W. Mok; Foo-tim Chau
- Publisher
- John Wiley and Sons
- Year
- 2005
- Tongue
- English
- Weight
- 225 KB
- Volume
- 6
- Category
- Article
- ISSN
- 1439-4235
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📜 SIMILAR VOLUMES
A combined ab initio and Franck-Condon f
✍
Edmond P. F. Lee; Daniel K. W. Mok; Foo-Tim Chau; John M. Dyke
📂
Article
📅
2009
🏛
John Wiley and Sons
🌐
English
⚖ 188 KB
👁 1 views
High-level ab initio calculations on HGe
✍
Daniel K. W. Mok; Foo-Tim Chau; Edmond P. F. Lee; John M. Dyke
📂
Article
📅
2009
🏛
John Wiley and Sons
🌐
English
⚖ 387 KB
## Abstract CCSD(T) and/or CASSCF/MRCI calculations have been carried out on the X̃^1^A′ and Ã^1^A″ states of HGeCl. The fully relativistic effective core potential, ECP10MDF, and associated standard valence basis sets of up to the aug‐cc‐pV5Z quality were employed for Ge. Contributions from core c