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偏微分方程学术报告

报告题目：Towards a mathematical understanding of surface hopping methods

报告人：Zhennan Zhou (副教授，北京大学国际数学研究中心)

时间地点：2018年5月31日上午10:50-11:35, 后主楼1124.

邀请人：许孝精

报告摘要：We develop a surface hopping algorithm based on frozen Gaussian approximation for semiclassical matrix Schr?dinger equations, in the spirit of Tully’s fewest switches surface hopping method. The algorithm is asymptotically derived from the Schr?dinger equation with rigorous approximation error analysis. The resulting algorithm can be viewed as a path integral stochastic representation of the semiclassical matrix Schr?dinger equations. Our results provide mathematical understanding to and shed new light on the important class of surface hopping methods in theoretical and computational chemistry.