arXiv subjects

V. I. Baranov

Publications and source records attributed to V. I. Baranov.

4 recordsLinked to original sources

arXiv2012

Study of 50 GeV proton beam focusing by novel crystal device

The bent crystals are applied on large accelerators to deflect particle beams in process of extraction and collimation. Recently the proposals of fixed target researches in the LHC are formulated. For realization of this program not only deflection but also focusing the LHC beam by bent crystals can be used. In the given work experimental results on 50 GeV proton beam focusing with the help of novel crystal device are reported. The positive property of this device is opportunity to work near the circulating beam of an accelerator, including the LHC.

physics.acc-ph↗

arXiv2003

Advances in the theory and methods of computational vibronic spectroscopy

We discuss semiempirical approaches and parametric methods developed for modeling molecular vibronic spectra. These methods, together with databases of molecular fragments, have proved efficient and flexible for solving various problems ranging from detailed interpretation of conventional vibronic spectra and calculation of radiative transition probabilities to direct simulations of dynamical (time-resolved) spectra and spectrochemical analysis of individual substances and mixtures. A number of specific examples and applications presented here show the potential of the semiempirical approach for predictive calculations of spectra and solution of inverse spectral problems. It is noteworthy that these advances provide computational insights into developing theories of photoinduced isomer transformations and nonradiative transitions in polyatomic molecules and molecular ensembles, theory of new methods for standardless quantitative spectral analysis.

physics.chem-ph↗

arXiv2002

Simulation of Time-Resolved Vibronic Spectra and the possibility of analyzing molecules with similar apectral properties

The possibility of using time-resolved vibronic spectroscopy for spectral analysis of mixtures of chemical compounds with similar optical properties, when traditional methods are inefficient, is demonstrated by using the method of computer simulation. The analysis is carried out by the example of molecules of a series of polyenes (butadiene, hexatraene, octatetraene, decapentaene, and decatetraene), their various cis- and trans-rotational isomers, and phenyl-substituted polyenes. Ranges of relative concentrations of molecules similar in their spectral properties, where reliable interpretation of time-resolved spectra of mixtures and both qualitative and quantitative analyses are possible, are determined. The use of computer simulation methods for oprimizing full-scale experiments in femtosecond spectroscopy is shown to hold much promise.

physics.chem-ph↗

arXiv2002

Modeling of the time-resolved vibronic spectra of polyatomic molecules: the formulation of the problem and analysis of kinetic equations

A semiempirical parametric method is proposed for modeling three-dimensional (time-resolved) vibronic spectra of polyatomic molecules. The method is based on the use of the fragment approach in the formation of molecular models for excited electronic states and parametrization of these molecular fragments by modeling conventional (one-dimensional) absorption and fluorescence spectra of polyatomic molecules. All matrix elements that are required for calculation of the spectra can be found by the methods developed. The time dependencies of the populations of a great number (>10^3) of vibronic levels can be most conveniently found by using the iterative numerical method of integration of kinetic equations. Convenient numerical algorithms and specialized software for PC are developed. Computer experiments showed the possibility of the real-time modeling of three-dimensional spectra of polyatomic molecules containing several tens of atoms.

physics.chem-ph↗