Functional Tensor-Train Chebyshev Method for Multidimensional Quantum Dynamics Simulations
收藏NIAID Data Ecosystem2026-03-13 收录
下载链接：
https://figshare.com/articles/dataset/Functional_Tensor-Train_Chebyshev_Method_for_Multidimensional_Quantum_Dynamics_Simulations/17192727
下载链接
链接失效反馈官方服务：
资源简介：
Methods
for efficient simulations of multidimensional quantum dynamics
are essential for theoretical studies of chemical systems where quantum
effects are important, such as those involving rearrangements of protons
or electronic configurations. Here, we introduce the functional tensor-train
Chebyshev (FTTC) method for rigorous nuclear quantum dynamics simulations.
FTTC is essentially the Chebyshev propagation scheme applied to the
initial state represented in a continuous analogue tensor-train format.
We demonstrate the capabilities of FTTC as applied to simulations
of proton quantum dynamics in a 50-dimensional model of hydrogen-bonded
DNA base pairs.
创建时间：
2021-12-13
