绝热过程
量子动力学
量子
波函数
物理
形式主义(音乐)
因式分解
经典力学
量子力学
动力学(音乐)
统计物理学
数学
艺术
音乐剧
算法
声学
视觉艺术
作者
Lucien Dupuy,Francesco Talotta,Federica Agostini,David Lauvergnat,Bill Poirier,Yohann Scribano
标识
DOI:10.1021/acs.jctc.2c00744
摘要
We present a quantum dynamics method based on the propagation of interacting quantum trajectories to describe both adiabatic and nonadiabatic processes within the same formalism. The idea originates from the work of Poirier [Chem. Phys.2010,370, 4-14] and Schiff and Poirier [J. Chem. Phys.2012,136, 031102] on quantum dynamics without wavefunctions. It consists of determining the quantum force arising in the Bohmian hydrodynamic formulation of quantum dynamics using only information about quantum trajectories. The particular time-dependent propagation scheme proposed here results in very stable dynamics. Its performance is discussed by applying the method to analytical potentials in the adiabatic regime, and by combining it with the exact factorization method in the nonadiabatic regime.
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