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),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 and taking account of nuclear spin statistics in the simulation.
License Free
File Size 4.68 MB
Version 1.4.1.1
Operating System Windows XP Windows 98 Windows Windows NT Windows 2003 Windows 2000 Windows Vista Windows Me Windows 7