Quantum Mechanical Studies of Interacting Modes in Molecules

在理论与计算化学计划和材料理论计划的支持下，Silby教授将研究量子力学中的三个问题：(1)气体和凝聚相中的隧道效应，(2)低温玻璃中客体分子的光谱，(3)分子系统中的竞争电子-声子和电子-电子相互作用。由此产生的理论模型将有助于更好地理解在上述领域产生的重要实验数据。对于对称势和非对称势，我们将研究分子和凝聚相中的隧道效应。玻璃中的烧孔将集中在玻璃中能量状态的基本方面(相互作用和非相互作用的二能级系统)以及它们对非均匀展宽的影响。将研究低维分子晶体和具有竞争相互作用的聚合物体系的动力学。这些系统呈现出丰富多样的可能态，如电荷密度波、自旋密度波以及孤子、极化子和双极化子缺陷态。

1With support from the Theoretical and Computational Chemistry Program and the Materials Theory Program, Professor Silby will investigate three problems in quantum mechanics: (1) tunneling in gas and condensed phases, (2) spectroscopy of guest molecules in low temperature glasses, and (3) competing electron-phonon and electron-electron interactions in molecular systems. The theoretical models that result will lead to a better understanding of the important experimental data generated in the above areas. Tunneling in molecules and condensed phases will be studied for both symmetric and asymmetric potentials. Hole burning in glasses will be investigated focusing on the basic aspects of energy states in glasses (interacting vs. non-interacting two-level systems) and their ramifications for imhomogeneous broadening. The dynamics in low dimensional molecular crystals and polymeric systems with competing interactions will be studied. These systems show a rich variety of possible states, such as charge density waves, spin density waves, and solitonic, polaronic, and bipolaronic defect states.