Dynamical properties of the Holstein chain from finite-temperature density matrix renormalization group method
ORAL
Abstract
We present density-matrix renormalization group results for spectral
functions and conductivities of the Holstein polaron and systems with
a finite electron density in a Holstein chain. Our numerical approach is
based on the selection of optimal phonons modes based on the importance
selection of single-site reduced density matrix eigenstates, called local basis
optimization. We combine this approach with purification to obtain
the low-temperature thermodynamics and extract polaron spectral
functions from real-time simulations [1]. In a next step, we optimize
the algorithm by using the time-dependent variational principle
and parallelization to compute the optical conductivity of the Holstein
polaron, the bipolaron, and for systems at a finite electron filling.
We discuss our results using the Born-Oppenheimer surface picture
for Holstein dimers [2].
functions and conductivities of the Holstein polaron and systems with
a finite electron density in a Holstein chain. Our numerical approach is
based on the selection of optimal phonons modes based on the importance
selection of single-site reduced density matrix eigenstates, called local basis
optimization. We combine this approach with purification to obtain
the low-temperature thermodynamics and extract polaron spectral
functions from real-time simulations [1]. In a next step, we optimize
the algorithm by using the time-dependent variational principle
and parallelization to compute the optical conductivity of the Holstein
polaron, the bipolaron, and for systems at a finite electron filling.
We discuss our results using the Born-Oppenheimer surface picture
for Holstein dimers [2].
*This research was supported by the Deutsche Forschungsgemeinschaft (DFG) via CRC 1073.JB acknowledges the support by the program P1-0044 of the Slovenian Research Agency, support from the Centre for Integrated Nanotechnologies,a U.S. Department of Energy, Office of Basic Energy Sciences user facility, and funding from the Stewart Blusson Quantum Matter Institute.
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Publication: [1] D. Jansen, J. Bonca, F. Heidrich-Meisner, Phys. Rev. B 104, 195116 (2021)
[2] D. Jansen, J. Bonca, F. Heidrich-Meisner, Phys. Rev. B, in press, arXiv:2206.00985 (2022)
Presenters
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Fabian Heidrich-Meisner
- University of Goettingen