报告题目一: Basics
报告人: Oleg Prezhdo教授,美国南加州大学
时 间: 2019年11月18日(周一)16:00
地 点: 曾呈奎楼B311
摘要:
Born-Oppenheimer approximation; quantum vs classical description of atomic motion; nonadiabatic (derivative) coupling; mean-field theory vs surface hopping; simple models; decoherence and detailed balance problems.
报告题目二: Fundamental Methods for Non-Adiabatic Molecular Dynamics
报告人: Oleg Prezhdo教授,美国南加州大学
时 间: 2019年11月25日(周一)16:00
地 点: 曾呈奎楼B311
摘要:
Ehrenfest dynamics, Landau-Zener and Miller-George transition probability formulas, fewest switches surface hopping, quantum-classical Lie bracket, coupling classical particles to quantum Bohmiantrajectories, solution to trivial crossings problem.
报告题目三: Advanced Approaches for Non-Adiabatic Molecular Dynamics
报告人: Oleg Prezhdo教授,美国南加州大学
时 间: 2019年12月2日(周一)16:00
地 点: 曾呈奎楼B311
摘要:
super-exchange and many-particle transitions, global flux surface hopping, surface hopping in Liouville space, second quantized surface hopping, decoherence induced surface hopping, coherencepenalty functional, Ehrenfest dynamics with decoherence and detailed balance.
欢迎各位老师同学积极参加!