Molecule Types Linear Molecules Samples |
Molecule Types Linear Molecules Samples |
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This shows an example of an electronic spectrum. The constants are
taken from G. M. Lloyd and P. Ewart, J
Chem. Phys. 110, 385
(1999). The line positions agree with the calculated line positions
from the paper to about 0.0001 cm-1. A small adjustment was
required to the contants -
the difference between pD+2qD
between the two
states is taken to be -9.42 rather than -0.942 as given in Table II.
(The value
given in Table II is not the value quoted by Prasad and Bernath as
quoted in the footnotes to the table.) Note that LimitSearch="True" is
required for the F1/F2/F3 quantum numbers to be calculated correctly.
See below for a larger example involving several vibrational states.
This is a more
complicated example, including many vibrational bands.
The 0-0 band is as above, with the additional constants from C.V.V.
Prasad and P.F. Bernath, Astrophys. J..426, 812 (1994). Note that the
vibrational states are all in the same manifold, though this is not
essential.