The XV Symposium on High Resolution Molecular Spectroscopy

July 18-21, 2006, Nizhny Novgorod, Russia

Topical programs

Section 2 "Theory of molecular systems and computational methods"

• 18.07.2006
  15:00
  Poster session.
  Location: Institute of Applied Physics.
• 1
  S. Gavva (Saratov State Technical Univesity, Saratov, Russia)
  Effect of vibration states interactions on anharmonic parameters
  Reporter: Svetlana Gavva
• 2
  V.P. Kochanov (V.E. Zuev Institute of Atmospheric Optics SB RAS, Tomsk, Russia)
  Effect of quasi-resonances of polarizability on saturated absorption at forbidden transition
  Reporter: Victor Pavlovich Kochanov
• 3
  M.A. Buldakov (Institute of Monitoring of Climatic and Ecological System SB RAS, Tomsk, Russia), V.N. Cherepanov, E.V. Koryukina, Yu.N. Kalugina (Tomsk State University, Tomsk, Russia)
  Theoretical investigation of dipole moment functions of HF, HCl and HBr molecules at small internuclear separations
  Reporter: Yulia Nikolaevna Kalugina
• 4
  A.V. Nikitin (V.E. Zuev Institute of Atmospheric Optics SB RAS, Tomsk, Russia)
  Potential energy surface for vibrational state calculations of methane
  Reporter: Andrei V. Nikitin
• 5
  Vl.G. Tyuterev, M. Rey (Université de Reims Champagne-Ardenne, Reims, France), S.A. Tashkun (V.E. Zuev Institute of Atmospheric Optics SB RAS, Tomsk, Russia)
  Non–empirical rovibrationnal effective Hamiltonians: convergence of contact transformations to a spectroscopic accuracy
  Reporter: Vladimir G. Tyuterev
• 6
  N.A. Zvereva-Loëte (Université de Bourgogne, Dijon, France), J. Demaison (Université des Sciences et Technologies de Lille, Lille, France), H.D. Rudolph (University of Ulm, Ulm, Germany)
  Ab initio anharmonic force field and equilibrium structure of vinyl bromide
• 7
  A.V. Burenin (Institute of Applied Physics RAS, Nizhny Novgorod, Russia)
  On the physical meaning of the molecular point group
  Reporter: Alexander Valentinovich Burenin
• 19.07.2006
  11:30
  Poster session.
  Location: the ship Riileev.
• 1
  E.K. Dolgov, S.I. Bokarev, V.I. Pupyshev, I.A. Godunov (Moscow State University, Moscow, Russia)
  Treatment of the degenerate and near-degenerate energy levels in vibrational self-consistent field theory
  Reporter: Evgeny K. Dolgov
• 2
  V.P. Kochanov (V.E. Zuev Institute of Atmospheric Optics SB RAS, Tomsk, Russia)
  Parametric resonance in amplification of harmonics of intense dichromatic radiation Raman scattering on low-frequency transitions
  Reporter: Victor Pavlovich Kochanov
• 3
  V.P. Kochanov (V.E. Zuev Institute of Atmospheric Optics SB RAS, Tomsk, Russia)
  Resonance stimulated Raman and hyper-Raman scattering on allowed transition
  Reporter: Victor Pavlovich Kochanov
• 4
  D.A. Pichugina, I.V. Nepopalova, N.E. Kuz’menko (Moscow State University, Moscow, Russia), A.F. Shestakov (Institute of Problems of Chemical Physics RAS, Chernogolovka, Russia)
  Spectroscopy of Au_n, Au₂₀O and Au₂₀O₂ gold cluster: structure identification from IR-spectrum
  Reporter: Dariya Aleksandrovna Pichugina
• 5
  A.S. Makhniov (Vyatka State University, Kirov, Russia)
  About invariance of the potential function in Cartesian coordinates according to the isotope substitution
  Reporter: Anatoli S. Makhniov
• 6
  J. Koput (Adam Mickiewicz University, Poznan, Poland), K.A. Peterson (Washington State University, Washington, USA)
  Ab initio prediction of the potential energy surface and vibration-rotation energy levels of BeH₂
  Reporter: Jacek Koput
• 20.07.2006
  16:00
  Poster session.
  Location: the ship Riileev.
• 1
  O.V. Belai, D.A. Shapiro, O.Ya. Schwarz (Institute of Automation and Electrometry SB RAS, Novosibirsk, Russia)
  Accuracy of one-dimensional kernel in billiard ball approximation
  Reporter: Oleg Vladimirovich Belai
• 2
  B.M. Kozlovskii, S.V. Petrov (Moscow State University, Moscow, Russia)
  Четырехатомные молекулы: опыт квазиклассического анализа колебательно-вращательных спектров (на примере P₄ и PH₃)
  Reporter: Borislav Mikhailovich Kozlovskii
• 3
  A.V. Petrakov, A.P. Scherbakov (V.E. Zuev Institute of Atmospheric Optics SB RAS, Tomsk, Russia)
  Software for determination of rotational, centrifugal distortion and resonance coupling constants for asymmetrical top molecules
  Reporter: Alexey V. Petrakov
• 4
  V.P. Kochanov (V.E. Zuev Institute of Atmospheric Optics SB RAS, Tomsk, Russia)
  On the systematic errors of determination of the frequency for transitions between atomic excited states by registration and analisys of fluorescence pulses
  Reporter: Victor Pavlovich Kochanov
• 5
  S. Gavva (Saratov State Technical Univesity, Saratov, Russia)
  Approximation of dipole moment function of high excited vibration states of molecules
  Reporter: Svetlana Gavva
• 6
  O.B. Rjabchenko, S.N. Slabzhennikov, L.A. Quarton (Far-Eastern National University, Vladivostok, Russia)
  Assignment of IR-spectrum of Co tris-acetylacetonate
  Reporter: Olga Borisovna Rjabchenko
• 21.07.2006
  17:00
  Poster session.
  Location: the ship Riileev.
• 1
  N.A. Zvereva-Loëte, V. Boudon (Université de Bourgogne, Dijon, France)
  Computational approaches to study ethylene trapped in a zeolite
• 2
  A.F. Shestakov (Institute of Problems of Chemical Physics RAS, Chernogolovka, Russia)
  Interpretation of IR spectra of iron-nitrosyl complexes on the basis of quantum-chemical calculations by density functional method
  Reporter: Alexander F. Shestakov
• 3
  P. Barletta, J.J. Munro, B.C. Silva, J. Tennyson (University College London, London, United Kingdom)
  Vibrational states of H₃⁺ at dissociation
  Reporter: Jonathan Tennyson
• 4
  J. Lamouroux, Vl.G. Tyuterev (Université de Reims Champagne-Ardenne, Reims, France), S.A. Tashkun (V.E. Zuev Institute of Atmospheric Optics SB RAS, Tomsk, Russia)
  From ab initio dipole moment surfaces to transition moment parameters and intensity calculations of rovibrational bands
  Reporter: Vladimir G. Tyuterev
• 5
  M.A. Buldakov (Institute of Monitoring of Climatic and Ecological System SB RAS, Tomsk, Russia), V.N. Cherepanov, N.S. Nagornova (Tomsk State University, Tomsk, Russia)
  Polarizability functions of LiH molecule
  Reporter: Natalia S. Nagornova
• 6
  A.D. Bykov, T.V. Kruglova (V.E. Zuev Institute of Atmospheric Optics SB RAS, Tomsk, Russia)
  Generalized Euler series transformation. Application to the vibration–rotation energy level calculations of the H₂, H₃⁺, H₂O molecules