Approximating thermodynamic equilibrium observables of quasi one-dimensional magnetic molecules and chains by thermal DMRG - a user perspective
Abstract
Density matrix renormalization group methods or tensor network methods in general can not only be used to determine ground states but also to evaluate thermal equilibrium properties. Although convergence is superior for one-dimensional quantum spin systems with nearest neighbor exchange and open boundary conditions, the hope is that these methods can as well be employed to approximate magnetic observables of magnetic molecules with more complex interaction patterns. Here, we assume the position of a user and study the accuracy that can realistically be achieved for several archetypical quasi one-dimensional structures using the TenPy suite. In our study, we aim at systems that are too large for exact diagonalization or Krylov space methods.
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BibTeX
@misc{horstmann2026approximating,
title = {{Approximating thermodynamic equilibrium observables of quasi one-dimensional magnetic molecules and chains by thermal DMRG - a user perspective}},
author = {L. Horstmann and J. Schnack},
howpublished = {arXiv},
year = {2026},
month = sep,
doi = {10.48550/arxiv.2608.24608},
eprint = {2608.24608},
archivePrefix = {arXiv},
url = {https://arxiv.org/abs/2608.24608},
}
RIS
TY - UNPB
TI - Approximating thermodynamic equilibrium observables of quasi one-dimensional magnetic molecules and chains by thermal DMRG - a user perspective
AU - L. Horstmann
AU - J. Schnack
PY - 2026
DA - 2026/09/16
PB - arXiv
DO - 10.48550/arxiv.2608.24608
UR - https://arxiv.org/abs/2608.24608
AB - Density matrix renormalization group methods or tensor network methods in general can not only be used to determine ground states but also to evaluate thermal equilibrium properties. Although convergence is superior for one-dimensional quantum spin systems with nearest neighbor exchange and open boundary conditions, the hope is that these methods can as well be employed to approximate magnetic observables of magnetic molecules with more complex interaction patterns. Here, we assume the position of a user and study the accuracy that can realistically be achieved for several archetypical quasi one-dimensional structures using the TenPy suite. In our study, we aim at systems that are too large for exact diagonalization or Krylov space methods.
ER -