Laboratory of Theoretical Spectroscopy

headed by Prof. Valerii I Perevalov

Investigations

High- and ultrahigh-resolution spectroscopy of molecules, complexes, and radicals, which are of interest for atmospheric and astrophysical investigations.

The Lab is involved in the international cooperation. In particular, it is a part of the International Scientific Association “Absorption Molecular Spectroscopy for Applications in the Physics of the Earth’s Atmosphere and Planetology,” which is organized by the Russian Academy of Sciences, Chinese Academy of Sciences, and the French National Scientific Research Center.

The Lab deals with the further development of the method of effective operators:

  • the superoperator formulation of the method contact transformations has been developed,
  • computer systems of analytical calculations in the theory of high-resolution molecular spectra have been created,
  • the theory of reduction of effective Hamiltonians has been developed, models of reduced effective Hamiltonians for spherical, symmetric, and asymmetric top molecules, as well as linear molecules, has been proposed, a method of generating functions has been proposed to overcome the divergence of effective rotational Hamiltonians of nonrigid molecules.

n cooperation with French colleagues, a cycle of works on the global simulation of high-resolution rotational-vibrational spectra of carbon dioxide, nitrogen monoxide, ozone, acetylene, and hydrogen sulfur molecules has been carried out. The created models describe positions and intensities of spectral lines of both low-temperature and high-temperature spectra of these molecules with the nearly experimental accuracy. The simulation has allowed the compilation of the data bank (CDSD) on high-resolution spectra of the carbon dioxide molecule (ftp://ftp.iao.ru/pub/CDSD-2008/). In its characteristics, this data bank is superior to the well-known HITRAN, HITEMP, and GEISA databases. The CDSD data bank has allowed the assignment of several new bands of carbon dioxide in the spectrum of the Venus atmosphere recorded by the European Venus Express satellite.


Experimental and calculated transmission of carbon dioxide at a temperature of 1550 K in the range 2.7 µm. The CDSD data bank ideally reconstructs the experiment.

 

Personnel

  1. Yurii G Borkov, staff scientist, Dr., phone: +7 3822 491-704, E-mail: geo@iao.ru
  2. Nina N Kal'dina, engineer, phone: +7 3822 491-704, E-mail: nina@iao.ru
  3. Viktor P Kochanov, leader staff scientist, Prof., E-mail: koch@iao.ru
  4. Anastasiya A Lukashevskaya, staff scientist, Dr., phone: +7 3822 491-111 + 1208, E-mail: nastya_l@sibmail.com
  5. Oleg M Lyulin, senior staff scientist, Dr., phone: +7 3822 491-111 + 1208, E-mail: ol@lts.iao.ru
  6. Semen N Mikhailenko, leader staff scientist, Dr., phone: +7 3822 491-111 + 1265, E-mail: semen@iao.ru
  7. Ol'ga V Naumenko, senior staff scientist, Dr., phone: +7 3822 491-111 + 1208, E-mail: olga@asd.iao.ru
  8. Andrei V Nikitin, senior staff scientist, Prof., phone: +7 3822 491-111 + 1208, E-mail: avn@lts.iao.ru
  9. Valerii I Perevalov, head of the Lab, Prof., phone: +7 3822 491-794, E-mail: vip@lts.iao.ru
  10. Eugenia N Starikova, staff scientist, Dr., phone: +7 3822 491-111 + 1265, E-mail: starikova_e@iao.ru
  11. Ol'ga N Sulakshina, senior staff scientist, Prof., phone: +7 3822 491-704, E-mail: son@iao.ru
  12. Sergei A Tashkun, main staff scientist, Prof., phone: +7 3822 491-111 + 1260, E-mail: tashkun@rambler.ru