Український математичний конгрес - 2009

Юрій Лопаткін (Сумський державний університет, Україна)

Quantum-mechanical modeling one- and multi-photon processes in multi-atomic systems and search of stochasticity and statistical features

The paper is connected with computational studying the multi-photon excitation and dissociation processes in the free multi-atomic molecules and molecules in matrices. The first part of work is connected with computational theoretical studying processes running under relaxation of molecule from the high excited state [1,2]. It has been shown that a relaxation of the molecule from the highly excited state includes as equilibrium as non equilibrium processes including the quantum transitions between intermediate purely electronic states. It has been found that the system could live in the intermediate electronic states during several vibrations, which are characteristic for this state. In second part of paper we present generalized numerical stochastic, quantum kinetics approach to modelling multi-excitation and dissociation processes in the multi-atomic molecules, generalizing methods [3,4]. Within it it has been introduced a stochastic model block, which is manifested in more correct description of the molecule excitation dynamics in the quasi-continuum.

1. P.A. Kondratenko, Yu. M. Lopatkin, Phys. and Chem. of Solids. 5, 474 (2004).
2. P.A. Kondratenko, Photochemical action of light (Kiev, Kiev Univ., 2005)
3. A.V. Glushkov et al, Int. J. Quant. Chem. 99, 879 (2004); 104, 512 (2005);
4. A.V. Glushkov, S.V. Malinovskaya, O. Yu. Khetselius, Europ. Phys. J. ST 160, 195 (2008); Molec. Phys. 106, 1257 (2008).