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The vibronic spectra of charge transfer excitons (CTE) in a molecular one-component or alternatingly ordered two-component chain are treated in the framework of a dynamic approach (neglecting thermal excitations of the intramolecular vibrations). The model introduces two mechanisms of coupling between CTEs and vibrational quanta: (1) shift of the equilibrium positions of the nuclei in the ionized donor or acceptor; (2) change of the vibrational frequency in the ionized molecule. This model allows to generalize the simple CTE Hamiltonian and the vibronic Hamiltonian of Frenkel excitons. The linear optical susceptibility is calculated in the vibronic region (one CTE and one vibrational quantum). The double splitting of vibronics of CTEs was analyzed: (1) the splitting connected with the location of the intramolecular vibration on the donors or on the acceptors; (2) the splitting connected with the symmetry of the vibronic spectra (in the degenerate case). The general structure of the vibronic spectra of CTEs is established. It contains structureless absorption lines, which correspond to two-particle bands (the phonon is excited on a neutral molecule neighboring the donor or the acceptor) and Lorentz-type lines of one-particle states, which correspond to the bound propagation of the CTE and the phonon. 相似文献
113.
The Monte Carlo ray-tracing method (MCRT) based on the concept of radiation distribution factor is extended to solve radiative heat transfer problem in turbulent fluctuating media under the optically thin fluctuation approximation. A one-dimensional non-scattering turbulent fluctuating media is considered, in which the mean temperature and absorption coefficient distribution are assumed and the shape of probability density function is given. The distribution of the time-averaged volume radiation heat source is solved by MCRT and direct integration method. It is shown that the results of MCRT based on the concept of radiation distribution factor agree with these of integration solution very well, but results of MCRT based on the concept of radiative transfer coefficient do not agree with these of integration solution. The solution of time-averaged radiative transfer equation by the concept of radiative transfer coefficient should be treated with caution. 相似文献
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微孔激光器作为应用于近场光信息存储系统中的一种新型光源,它的出射光斑的近场特性对于近场光存储是十分重要的。针对纳米孔径运用角谱进行Fox-Li数值迭代,得到不同孔径微孔激光器的基模光强分布,然后运用二维非线性时域有限差分法分析微孔激光器出射端即微孔金属膜的近场光学性质,模拟计算了不同孔径和厚度的微孔金属膜的光强近场分布,从应用于近场光存储的角度,给出反映其近场光学特性的相关数据。发现由于TM模式下金属存在局域表面等离子增强效应,使得其出射强度比TE模式高一个数量级,从而更适于作为实际中近场光存储系统和原理试验的光学头。 相似文献
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On the basis of the hydrodynamic equations for nonlinear elastic-gravity waves beneath a solid ice cover and their Hamiltonian representation, a three-wave kinetic equation for the time evolution of the wave spectrum is formulated. The properties of the kernel of the kinetic integral describing the nonlinear interactions between wave triplets are investigated. An algorithm for numerically calculating the kinetic integral is developed. The rate of nonlinear energy transfer over the wave spectrum is estimated quantitatively and its most important characteristics are found. 相似文献
119.
D. Sasireka E. Palaniyandi K. Iyakutti 《International journal of quantum chemistry》2004,99(3):142-152
Local lattice relaxation of substitutional donors in silicon investigated using self‐consistent multiple scattering Xα (MSXα) method within the framework of the standard muffin‐tin potential approximation is extended to substitutional donors in germanium and substitutional acceptors in both silicon and germanium. Incorporating the effect of lattice relaxation surrounding the impurity makes the model suitable for both shallow and deep levels. Chemical trends of some aspects of impurity states, such as local lattice relaxation and charge transfer, of the impurities both in silicon and germanium are inferred. © 2004 Wiley Periodicals, Inc. Int J Quantum Chem, 2004 相似文献
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