adiabatic.

Daeho Han1, Mohammad Shakiba1, Alexey V Akimov1

  • 1Department of Chemistry, University at Buffalo, The State University of New York, Buffalo, New York 14260, United States.

概括

这项研究引入了一种新的表面跳跃方法,用于非adiabatic分子动力学. 它有效地计算了量子系统动态,没有多个轨迹,提供了新的方法来纠正不连贯性.

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