Молекулярная спектроскопия Молекулярная спектроскопия
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Project Structure

1. Measurements and analysis of overtone water spectra

   1.1 Fourier transform room temperature spectrum of water 
   1.2 Water spectra in atmospheric windows
   1.3 Higher temperature water absorption spectra

2. Hot water and isotopomers spectra measurements and analysis

   2.1 Hot flame and sunspot water spectra
   2.2 Spectra of oxygen - hydrogen flame
   2.3 Hot laboratory D2O spectrum
   2.4 HDO spectroscopy
   2.5 Other isotopomers

3. Ab initio calculations of water potential and dipoles

   3.1 Electronic energy calculations using aug-pv-6z basis set
   3.2 Full Configuration Interaction calculations
   3.3 DMS calcualtions and the BODC and relativistic corrections to it

4. Effective Hamiltonian models and dipoles

   4.1 Summation of divergent series in the EH and EDM approach
   4.2 Modeling of H2O and H2S spectra using EH and EDM approach
   4.3 Assignments of the H2O and H2S spectra using algorithms of the pattern recognition theory

5. Line shift and line broadeninig parameters

6. Semiemperical potential for all isotopomers of water.

7. Linelists for water spectra

   7.1 Linelists for spectral analysis
   7.2 Final linelist

Грант INTAS 00-189