mpsqd:Python,

Weizhong Guan1,2, Peng Bao1, Jiawei Peng3,4

  • 1Beijing National Laboratory for Molecular Sciences, State Key Laboratory for Structural Chemistry of Unstable and Stable Species, CAS Research/Education Center for Excellence in Molecular Sciences, Institute of Chemistry, Chinese Academy of Sciences, Zhongguancun, Beijing 100190, China.

PubMed
概括

本研究介绍了一个Python包,使用矩阵产物状态 (MPS) 来通过时间依赖的施罗丁格方程 (TDSE) 和层次运动方程 (HEOM) 模拟量子动力学. 它可以有效地建模复杂的分子系统和量子现象.

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