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Diatomic 1.4.1.1

OS Support:

Windows 7/Vista/XP


Publisher

Publisher Old version

Update:

January 9 2012

Download:

Diatomic 1.4.1.1


Description

A spectral simulation program for diatomic molecules

Diatomic was developed to be 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.

Here are some key features 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.


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