Dear Colleagues,
A new version (v1.4.1.1) of Diatomic is available at
http://www.cyber-wit.com. Since this version, Diatomic will be released
as 100% freeware. 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. The following are some
feature highlights of Diatomic:
* Simulation of any intermediate coupling case between the Hund case (a)
and Hund case (b).
* 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.
* Allowing up to 32 vibrational terms for each band constant.
* Using either the user specified Franck-Condon factors (FCF) or
calculating the FCFs from RKR potentials derived from the input
vibrational and rotational constants.
* Taking account of the Lambda-type doubling up to L = 2, S = 2 in the
simulation.
* Taking account of nuclear spin statistics in the simulation.
* Taking account of excitation-detection geometry, polarizations, and
spatial alignment of the initial-state angular momentum in LIF simulations.
* 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.
* Displaying both the graphical spectrum or RKR potential curves, and
text results on an integrated user interface.
* Automatic labeling of rotational lines on the simulated graphical
spectrum.
* Supporting basic graphical manipulations and comparison of the
simulated spectrum with an user imported spectrum.
* Customizing and printing reports.
Thank you for your attention.
Sincerely,
Xiaofneg Tan, Ph.D.
CyberWit, Inc.
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