Dynamics of Novel Anharmonic Systems

9510182页理论研究将进行固体和分子的非线性动力学。 本论文的主要工作包括三个方面：（1）研究非线性周期晶格中的一类新的局域振动激发：本征局域模O。 这些模式是由红外线中的光泵浦产生的。 我们将研究这些新模式的性质及其在真实的三维晶体中的出现。 多稳态振动能量传输之间的光泵有机晶体具有共振非谐层间耦合的界面也将进行研究。(2)本文还对碘化钾与单电荷银缺陷体系的反常红外性质进行了相关的研究。(3)最后，将使用第一性原理量子分子动力学研究生物分子和富勒烯中的大振幅非谐动力学的红外和拉曼光谱。 这个理论研究计划研究固体和分子的非线性特性。 这些非线性振动通常是光学活性的，因此这项研究将揭示分子和固体光学性质的新见解。 ***

9510182 Page Theoretical research will be conducted on the nonlinear dynamics of solids and molecules. Three projects will be undertaken: (1) a new class of localized vibrational excitations which occur in nonlinear periodic lattices, Ointrinsic localized modes,O will be studied. These modes are generated by optical pumping in the infrared. The properties of these new modes and their occurrence in real three-dimensional crystals will be studied. Multistable vibrational energy transmission across interfaces between optically pumped organic crystals having a resonant anharmonic interlayer coupling will also be studied. (2) a related study of the anomalous infrared properties of the defect system potassium iodide with singly charged silver will be done. (3) finally, infrared and Raman spectroscopy of large amplitude anharmonic dynamics in biomolecules and fullerenes will be studied using first-principles quantum molecular dynamics. %%% This theoretical research program investigates the nonlinear properties of solids and molecules. These nonlinear vibrations are often optically active and hence the research will reveal new insights into the optical properties of molecules and solids. ***