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Spectroscopic Properties of Atoms and Molecules.

Spectral parameters of atoms and molecules are necessary for modeling technological processes involving substance - radiation interaction, e.g. photochemical stages or radiative energy losses. In addition to the energetic properties (transition energies), spectroscopic characteristics include transition probabilities. Absolute transition probabilities determining process rates are usually difficult-to-measure experimentally but can be calculated by Kintech experts from the first principles with the accuracy sufficient for most practical applications.

  • atomic and molecular spectra
  • probabilities of radiative  transitions in atoms and molecules (dipole transition moments, oscillator strengths)
Examples:

Electronic transitions and simulation of electronic emission and absorpton spectra of metal halogenide molecules

Franck-Condon factors between ground and excited terms in ZnI molecule

Van der Waals broadening coefficients for atoms

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