Theory and Simulation of Many-Body Quantum Coherence

加州大学欧文分校的克雷格·c·马滕斯（Craig C. Martens）获得了理论与计算化学项目的一项奖励，用于研究多体系统中相干量子力学过程的理论和计算方法。该研究采用混合经典-量子方法来推广具有多个量子态的系统的经典分子动力学，并基于Wigner表示中的多态量子力学Liouville方程的半经典近似。Martens正在将这些方法应用于几个应用，包括使用成形超快脉冲研究电子激发，从动力系统角度研究量子相干性的半经典动力学，以及从经典系统浴模式研究可能的量子相干性。通过训练学生掌握现代理论和计算方法，这项工作产生了更广泛的影响。

Craig C. Martens of the University of California-Irvine is supported by an award from the Theoretical and Computational Chemistry program for research to develop theoretical and computational methodology for the investigation of coherent quantum mechanical processes in many-body systems. The research is taking a mixed classical-quantum approach to generalizing classical molecular dynamics for systems with multiple quantum states and is based on a semiclassical approximation to the multistate quantum mechanical Liouville equation in the Wigner representation. Martens is applying these methods to several applications including the study of electronic excitations using shaped ultrafast pulses, an investigation of the semiclassical dynamics of quantum coherence from a dynamical systems perspective, and a study of the creation of possible quantum coherences from classical system bath modes. The work is having a broader impact through the training of students in modern theoretical and computational methods.