Excitation energies and out-of-plane spatial character tz2) of the lowest nn\* sinplet and triplet states of tranr-1-3&hexatricne were described as a function of various basis sets and ciectron correlation procedures. Confiration interaction (Cl) utilized all single and double excitations, (1+2)CI,
✦ LIBER ✦
An ab initio multireference doubles excitation configuration interaction study of low-lying electronic states of Cd2 using Slater-type orbitals
✍ Scribed by José M. García de la Vega; Beatriz Miguel
- Book ID
- 105886850
- Publisher
- Springer
- Year
- 2000
- Tongue
- English
- Weight
- 106 KB
- Volume
- 104
- Category
- Article
- ISSN
- 1432-2234
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