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.
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Abstract / Bemerkung
The multi-layer multi-configurational time-dependent Hartree (MCTDH) approach is an efficient method to study quantum dynamics in real and imaginary time. The present work explores its potential to describe quantum fluids. The multi-layer MCTDH approach in second quantization representation is used to study lattice models beyond one dimension at finite temperatures. A scheme to map the lattice sites onto the MCTDH tree representation for multi-dimensional lattice models is proposed. A statistical sampling scheme previously used in MCTDH calculations is adapted to facilitate an efficient description of the thermal ensemble. As example, a two-dimensional hard-core Bose-Hubbard model is studied considering up to 64 * 64 lattice sites. The single particle function basis set size required to obtain converged results is found to not increase with the lattice size. The numerical results properly simulate the finite temperature Berezinskii-Kosterlitz-Thouless phase transition. © 2024 Author(s). Published under an exclusive license by AIP Publishing.
Erscheinungsjahr
2024
Zeitschriftentitel
Journal of Chemical Physics
Band
161
Ausgabe
13
Art.-Nr.
134109
eISSN
1089-7690
Page URI
https://pub.uni-bielefeld.de/record/2993269
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Niermann T, Hoppe H, Manthe U. A multi-layer multi-configurational time-dependent Hartree approach to lattice models beyond one dimension. Journal of Chemical Physics. 2024;161(13): 134109.
Niermann, T., Hoppe, H., & Manthe, U. (2024). A multi-layer multi-configurational time-dependent Hartree approach to lattice models beyond one dimension. Journal of Chemical Physics, 161(13), 134109. https://doi.org/10.1063/5.0228399
Niermann, Tristan, Hoppe, Hannes, and Manthe, Uwe. 2024. “A multi-layer multi-configurational time-dependent Hartree approach to lattice models beyond one dimension”. Journal of Chemical Physics 161 (13): 134109.
Niermann, T., Hoppe, H., and Manthe, U. (2024). A multi-layer multi-configurational time-dependent Hartree approach to lattice models beyond one dimension. Journal of Chemical Physics 161:134109.
Niermann, T., Hoppe, H., & Manthe, U., 2024. A multi-layer multi-configurational time-dependent Hartree approach to lattice models beyond one dimension. Journal of Chemical Physics, 161(13): 134109.
T. Niermann, H. Hoppe, and U. Manthe, “A multi-layer multi-configurational time-dependent Hartree approach to lattice models beyond one dimension”, Journal of Chemical Physics, vol. 161, 2024, : 134109.
Niermann, T., Hoppe, H., Manthe, U.: A multi-layer multi-configurational time-dependent Hartree approach to lattice models beyond one dimension. Journal of Chemical Physics. 161, : 134109 (2024).
Niermann, Tristan, Hoppe, Hannes, and Manthe, Uwe. “A multi-layer multi-configurational time-dependent Hartree approach to lattice models beyond one dimension”. Journal of Chemical Physics 161.13 (2024): 134109.
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Dissertation, die diesen PUB Eintrag enthält
High-Dimensional Quantum Molecular Dynamics and their Application to Elementary Chemical Processes
Hoppe H (2024)
Bielefeld: Universität Bielefeld.
Hoppe H (2024)
Bielefeld: Universität Bielefeld.
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