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Quantum hierarchical Fokker-Planck equations with U(1) gauge fields [U(1)-QHFPE]: A computational framework for
Shoki Koyanagi1, Hyeonseok Yang1, Yoshitaka Tanimura1
1Department of Chemistry, Graduate School of Science, Kyoto University, Kyoto 606-8502, Japan.
None:
We present a software package that solves the quantum Fokker-Planck equation with gauge fields, formulated within the hierarchical equations of motion framework [U(1)-QHFPE]. The framework rigorously preserves gauge invariance and rotational symmetry under non-Markovian and non-perturbative system-bath (S-B) interactions, enabling accurate simulations of transport phenomena such as the Aharonov-Bohm effect under thermal environments. In a strong S-B coupling regime, quantum S-B entanglement emerges naturally. The demonstration programs perform calculations of response functions in Aharonov-Bohm ring geometries with a mechanical potential that may induce quantum tunneling, thereby illustrating the software's capability to resolve topological quantum interference in dissipative open systems. Written in C++, the code includes a central processing unit version with highly readable OpenMP directives and a graphics processing unit version tailored for high-performance computing.
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