Optimal Tree Tensor Network Operators for Tensor Network Simulations: Applications to Open Quantum Systems

Abstract

Tree tensor network states (TTNS) decompose the system wavefunction to the product of low-rank tensors based on the tree topology, serving as the foundation of the multi-layer multi-configuration time-dependent Hartree (ML-MCTDH) method. In this work, we present an algorithm that automatically constructs the optimal and exact tree tensor network operators (TTNO) for any sum-of-product symbolic quantum operator.The construction is based on the minimum vertex cover of a bipartite graph. With the optimal TTNO, we simulate open quantum systems such as spin relaxation dynamics in the spin-boson model and charge transport in molecular junctions. In these simulations, the environment is treated as discrete modes and its wavefunction is evolved on equal footing with the system. We employ the Cole-Davidson spectral density to model the glassy phonon environment, and incorporate temperature effects via thermo field dynamics. Our results show that the computational cost scales linearly with the number of discretized modes, demonstrating the efficiency of our approach.

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Cited by in corpus (7)

• Tree tensor network hierarchical equations of motion based on time-dependent variational principle for efficient open quantum dynamics in structured thermal environments
• Optimal Symbolic Construction of Matrix Product Operators and Tree Tensor Network Operators
• Ab-Initio Approach to Many-Body Quantum Spin Dynamics
• The Software Landscape for the Density Matrix Renormalization Group
• Gauge-Fixing Quantum Density Operators At Scale
• Process Tensor Approaches to Non-Markovian Quantum Dynamics
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