半经典的多态量子力学使用热化高斯波束

Yoosang Son1, Yeseong Choi1, Oleg V Prezhdo2

  • 1Department of Chemistry, Korea Advanced Institute of Science and Technology, Daejeon 34141, Republic of Korea.

概括

研究人员开发了一种新的方法来模拟电子动力学,通过准确地建模热效应和脱凝. 这种方法使用经典轨迹来传播一种新的热化高斯波束 (TGW),提供高效和精确的量子动力学模拟.

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