CAREER: Scaling Theory for Electronic Structure

普渡大学的Sabre Kais教授得到了CAREER基金的支持 从理论和计算化学程序开发和 应用重整化群，有限尺寸标度和枢轴方法 用于计算原子和分子的电子结构。 长 术语目标是精确预测原子和分子的性质， 计算成本低。 新颖的教育理念包括更新 本科和研究生课程的内容， 互动小组项目纳入课程，并引入概念测试 上课的时候 执行高度精确的分子性质计算， 许多平凡甚至危险的化学实验的需要。 它 也允许探索势能面的区域 和实验无法常规获得的短暂物种。 使用 化学定性和定量研究技术 教育提供有关学生表现、动机和 认识

Professor Sabre Kais of Purdue University is supported by a CAREER grant from the Theoretical and Computational Chemistry program to develop and apply renormalization group, finite-size scaling, and the pivot method for calculating electronic structure of atoms and molecules. The long term goal is accurate predictions of atomic and molecular properties at low computational cost. Novel educational ideas include updating the content of undergraduate and graduate curricula, incorporating interactive group projects into courses, and introducing conceptual tests during lectures. Performing highly accurate calculations of molecular properties obviates the need for many mundane or even hazardous chemical experiments. It also allows for the exploration of regions of potential energy surfaces and transient species not routinely accessible by experiment. The use of both qualitative and quantitative research techniques in chemical education provides information on student performance, motivation, and understanding.