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CyberWit Diatomic
Diatomic is a spectral simulation program
for diatomic molecules. It allows the user to simulate laser-induced fluorescence,
absorption, and emission spectra of diatomic molecules. The program assumes
the electric dipole selection rules.
Diatomic Highlights
- Simulation of any intermediate coupling case between the Hund case
(a) and Hund case (b).
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- Taking account of leading centrifugal corrections (up to Lv)
as well as fine structure interactions (spin-orbit, spin-spin and spin-rotation)
in the simulation.
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- Allowing up to 32 vibrational terms for each band constant.
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- Using either the user specified Franck-Condon factors (FCF) or calculating
the FCFs from RKR potentials derived from the input vibrational and
rotational constants.
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- Taking account of the Lambda-type doubling up to L = 2, S
= 2 in the simulation.
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- Taking account of nuclear spin statistics in the simulation.
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- Taking account of excitation-detection geometry, polarizations, and
spatial alignment of the initial-state angular momentum in LIF simulations.
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- Supporting various lineshapes: Gaussian, Lorentzian, and Voigt lineshapes
are supported for LIF and absorption. Instrumental slit transmission
functions (rectangular and grating diffraction function) are supported
for emission.
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- Displaying both the graphical spectrum or RKR potential curves, and
text results on an integrated user interface.
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- Automatic labeling of rotational lines on the simulated graphical
spectrum.
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- Supporting basic graphical manipulations and comparison of the simulated
spectrum with an user imported spectrum.
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- Customizing and printing reports.
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Free Licensing
Since its first release in the year of 2002
by Dr. Xiaofeng Tan, Diatomic has become a popular tool in the molecular spectroscopy community.
Diatomic is now widely being used in colleges and universities, U.S. national
laboratories, the US Air Force, and technology companies.
The development and distribution costs of the Diatomic project are now
covered by Cyberwit's flagship product, DataScene,
which was also developed by Dr. Xiaofeng Tan. DataScene
is a data graphing, analysis, and animation program that developed with
the new generation of computational technologies. It produces the best
ever graph quality among competition and include novel features that allow
the user to easily create graph animation for online and offline playback
and to graph and process real-time
data. If you like Diatomic, you will surely like DataScene!
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