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)气相和凝聚态中的隧道效应，(2)低温玻璃中客体分子的光谱学，(3)分子系统中电子-声子和电子-电子相互作用的竞争。由此产生的理论模型将有助于更好地理解上述领域中产生的重要实验数据。对于对称和非对称势，将研究分子和凝聚相中的隧道效应。我们将研究玻璃中的烧孔，重点关注玻璃中能量状态的基本方面（相互作用与非相互作用的两能级系统）及其对非均匀展宽的影响。在低维分子晶体和具有竞争相互作用的聚合物系统中的动力学将被研究。这些系统显示出丰富多样的可能状态，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.