Dear Colleagues:
Apologies for cross posting.
A new version of Diatomic (v1.28) is available at
http://www.diatomiccode.com.
Diatomic is a spectral simulation program for diatomic molecules. It is
a graphical-user-interface (GUI) program which runs on Windows
9x/NT4.0/Me/2000/XP. It allows the user to simulate laser-induced
fluorescence (LIF), absorption and emission spectra of diatomic
molecules. Diatomic is capable of:
* Simulating any intermediate coupling case between 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 distribution in
LIF simulations.
* Calculating 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.
* Labeling rotational lines on the simulated graphical spectrum.
* Supporting basic graphical manipulations, and comparison of the
simulated spectrum with an user imported spectrum.
Customizing reports and printing.
Old users can find the new features of the new Diatomic program at
http://www.diatomiccode.com/whatisnew.html. The program is ready for
download at http://www.diatomiccode.com. The licensing of the program
has been changed since version 1.28, please make sure you read the
license agreement before download.
Regards,
Xiaofeng Tan, Ph.D.
The Author of Diatomic
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