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A multi-layer multi-configurational time-dependent Hartree approach to lattice models beyond one dimension
Tristan Niermann1, Hannes Hoppe1, Uwe Manthe1
1Theoretische Chemie, Fakultät für Chemie, Universität Bielefeld, Universitätsstr. 25, D-33615 Bielefeld, Germany.
Abstract:
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.
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