PUB - Publikationen an der Universität Bielefeld

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• [9]
  

  2024 | Dissertation | PUB-ID: 2993929

  High-Dimensional Quantum Molecular Dynamics and their Application to Elementary Chemical Processes
  Hoppe H (2024)
  Bielefeld: Universität Bielefeld.

  PUB
   
• [8]
  

  2024 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2986156

  Eigenstate calculation in the state-averaged (multi-layer) multi-configurational time-dependent Hartree approach
  Hoppe H, Manthe U (2024)
  The Journal of Chemical Physics 160(3): 034104 .

  PUB | DOI | WoS | PubMed | Europe PMC
   
• [7]
  

  2024 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2990820

  A non-hierarchical multi-layer multi-configurational time-dependent Hartree approach for quantum dynamics on general potential energy surfaces
  Ellerbrock R, Hoppe H, Manthe U (2024)
  The Journal of Chemical Physics 160(22): 224108.

  PUB | DOI | WoS | PubMed | Europe PMC
   
• [6]
  

  2024 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2988050

  QuTree: A tree tensor network package
  Ellerbrock R, Johnson KG, Seritan S, Hoppe H, Zhang JH, Lenzen T, Weike T, Manthe U, Martínez TJ (2024)
  The Journal of Chemical Physics 160(11): 112501.

  PUB | DOI | WoS | PubMed | Europe PMC
   
• [5]
  

  2024 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2989894

  Accurate Quantum Dynamics Calculations for the Cl + CH4/CHD3/CD4 Reaction Rates
  Hoppe H, Manthe U (2024)
  Journal of Physical Chemistry A: Molecules, Clusters, and Aerosols 128(20): 4014–4019.

  PUB | DOI | WoS | PubMed | Europe PMC
   
• [4]
  

  2024 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2993269

  A multi-layer multi-configurational time-dependent Hartree approach to lattice models beyond one dimension
  Niermann T, Hoppe H, Manthe U (2024)
  Journal of Chemical Physics 161(13): 134109.

  PUB | DOI | WoS | PubMed | Europe PMC
   
• [3]
  

  2023 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2981378

  A numerically exact correlation discrete variable representation for multi-configurational time-dependent Hartree calculations
  Ellerbrock R, Hoppe H, Manthe U (2023)
  Journal of Chemical Physics 158(24): 244103.

  PUB | DOI | WoS | PubMed | Europe PMC
   
• [2]
  

  2022 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2963247

  Development of a Fully Coupled Diabatic Spin-Orbit Model for the Photodissociation of Phenyl Iodide
  Weike N, Chanut E, Hoppe H, Eisfeld W (2022)
  The Journal of Chemical Physics 156(22): 224109.

  PUB | DOI | Download (ext.) | WoS | PubMed | Europe PMC
   
• [1]
  

  2022 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2962026

  First-Principles Theory for the Reaction of Chlorine with Methane
  Hoppe H, Manthe U (2022)
  Journal of Physical Chemistry Letters 13(11): 2563-2566.

  PUB | DOI | WoS | PubMed | Europe PMC