Near-equilibrium four-dimensional potential energy surfaces (stretching coordinates only) have been calculated for the two lowest electronic states of HC,NC+ (B'II and A 'X). With a large dipole moment of A= -4.33 D and a B0 value of 4949( 10) MHz, the 3 \*l-l state appears to be a suitable candidat
Can the lowest two electronic states of Si2 be ordered?
✍ Scribed by H.P. Lüthi; A.D. McLean
- Publisher
- Elsevier Science
- Year
- 1987
- Tongue
- English
- Weight
- 452 KB
- Volume
- 135
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
✦ Synopsis
Second-order configuration interaction (SOCI) calculations on Si, and Cz in their lowest 3Xg and 311U states, combined with experimental data for Cz, lead to a prediction of a near certain '2; Siz ground state with r,= 18Ok 200 cm-'. Enough computed information is now available to guide an experimental search for the bands in the 'Z; to 'II, electronic transition.
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