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Updated: Sep 28, 2025

Analyzing Melts and Fluids from Ab Initio Molecular Dynamics Simulations with the UMD Package
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On the fly swapping algorithm for ordering of degrees of freedom in density matrix renormalization group

Weitang Li1, Jiajun Ren1, Hengrui Yang1

  • 1MOE Key Laboratory of Organic OptoElectronics and Molecular Engineering, Department of Chemistry, Tsinghua University, Beijing, People's Republic of China.

Journal of Physics. Condensed Matter : an Institute of Physics Journal
|April 4, 2022
PubMed

Keywords:
degree of freedomdensity matrix renormalization grouporderingquantum chemistryquantum dynamicsvibronic model

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