Tensor-Train Split-Operator KSL (TT-SOKSL) Method for Quantum Dynamics Simulations.

  title={Tensor-Train Split-Operator KSL (TT-SOKSL) Method for Quantum Dynamics Simulations.},
  author={Ningyi Lyu and Micheline B Soley and Victor S. Batista},
  journal={Journal of chemical theory and computation},
Numerically exact simulations of quantum reaction dynamics, including nonadiabatic effects in excited electronic states, are essential to gain fundamental insights into ultrafast chemical reactivity and rigorous interpretations of molecular spectroscopy. Here, we introduce the tensor-train split-operator KSL (TT-SOKSL) method for quantum simulations in tensor-train (TT)/matrix product state (MPS) representations. TT-SOKSL propagates the quantum state as a tensor train using the Trotter… 
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