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QuTree: A tree tensor network package

delete2024-03-18
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PRE
AI
R
Roman Ellerbrock
K
K. Grace Johnson
S
Stefan Seritan
H
Hannes Hoppe
J
J. H. Zhang
T
Tim Lenzen
T
Thomas Weike
U
Uwe Manthe
T
Todd J. Martı́nez *
DOI:10.1063/5.0180233delete
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摘要

摘要

En 中文
We present QuTree, a C++ library for tree tensor network approaches. QuTree provides class structures for tensors, tensor trees, and related linear algebra functions that facilitate the fast development of tree tensor network approaches such as the multilayer multiconfigurational time-dependent Hartree approach or the density matrix renormalization group approach and its various extensions. We investigate the efficiency of relevant tensor and tensor network operations and show that the overhead for managing the network structure is negligible, even in cases with a million leaves and small tensors. QuTree focuses on providing simple, high-level routines while retaining easy access to the backend to facilitate novel developments. We demonstrate the capabilities of the package by computing the eigenstates of coupled harmonic oscillator Hamiltonians and performing random circuit simulations on a virtual quantum computer.
Keyword:
POTENTIAL-ENERGY SURFACES
QUANTUM SUPREMACY
DYNAMICS
STATE
REPRESENTATION
FORMULATION
EXCITATION
ACCURATE

期刊

Journal of Chemical Physics 封面图
Journal of Chemical Physics
IF:
3.1
论文数:
7.2W
被引数:
23.2W

机构

S
Stanford University
学者数:
9.6W
论文数: 8.2W
被引数: 17.0W
U
united states department of energy (doe)
学者数:
11.3W
论文数: 9.6W
被引数: 246
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