Quantum Mechanical Studies of Interacting Modes in Molecules

分子相互作用模式的量子力学研究

• 批准号: 9016392
• 负责人: Robert Silbey
• 金额: --
• 依托单位: Massachusetts Institute of Technology
• 依托单位国家: 美国
• 项目类别: Continuing grant
• 财政年份: 1991
• 资助国家: 美国
• 起止时间: 1991-01-01 至 1994-06-30
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=9016392&HistoricalAwards=false
• 关键词: Quantum; Mechanical; Studies; Interacting; Modes

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.

1在理论和计算化学的支持下， 计划和材料理论计划，教授西尔比将 研究量子力学中的三个问题：（1）隧穿 在气相和凝聚相中，（2）客体的光谱 低温玻璃中的分子，和（3）竞争 分子中的电子-声子和电子-电子相互作用 系统.理论模型的结果将导致一个 更好地理解重要的实验数据 在上述地区产生。 将研究Tunnel in分子和凝聚相， 对称势和非对称势。烧孔 玻璃将集中研究的基本方面， 眼镜中的能量状态（相互作用与非相互作用 两级系统）及其衍生的非均匀 加宽低维分子晶体中的动力学 而具有竞争性相互作用的聚合物系统 研究了这些系统显示了多种可能的状态， 例如电荷密度波、自旋密度波， 孤子、极化子和双极化子缺陷态。