Electronic Resource
College Park, Md.
:
American Institute of Physics (AIP)
The Journal of Chemical Physics
87 (1987), S. 2847-2853
ISSN:
1089-7690
Source:
AIP Digital Archive
Topics:
Physics
,
Chemistry and Pharmacology
Notes:
This note reports ab initio potential curves of A 1Πu and X 1Σ+g states of C2, and the A–X radiative lifetimes. The calculations are based upon configuration interaction wave functions formed from single and double electron excitations from state-averaged MC-SCF reference functions expanded in a Gaussian basis. The lifetimes for (J′=1,v′) A 1Πu are calculated to be about 25% longer than those found in previous ab initio works, but about 25% shorter than the most recent LIF measurements of Bauer, Becker, Bielefeld, and Meuser. Also reported are the quadrupole moments of the A 1Πu and X 1Σ+g states as a function of internuclear distance and the quadrupole lifetimes of several (v′=0,J′) levels in the X state.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1063/1.453072
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