Dresden 2026 – wissenschaftliches Programm
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QI: Fachverband Quanteninformation
QI 5: Quantum Computing and Algorithms II
QI 5.1: Vortrag
Dienstag, 10. März 2026, 09:30–09:45, BEY/0137
Transcorrelated Method with Quantum Computing : Quasi-Hermitian Hamiltonian Simulation — •Cheng-Lin Hong1,2 and Werner Dobrautz1,2,3,4 — 1Center for Advanced Systems Understanding, 02826 Görlitz, Germany — 2Helmholtz-Zentrum Dresden-Rossendorf, 01328 Dresden, Germany — 3Center for Scalable Data Analytics and Artificial Intelligence Dresden/Leipzig, 01069 Dresden, Germany — 4Technical University Dresden, 01069 Dresden, Germany
A major challenge in quantum chemistry on quantum computers is the large number of qubits required to achieve accurate results near the complete basis set (CBS) limit. The transcorrelated (TC) method addresses this issue by using a non-unitary similarity transformation to incorporate electron-correlation effects, such as the cusp condition, directly into the Hamiltonian. This method accelerates convergence toward the CBS limit even with smaller basis sets, thereby reducing the number of qubits required. However, the non-unitary nature of the transformation leads to a non-Hermitian Hamiltonian, whose structure and its corresponding physical quantities depend sensitively on the chosen Jastrow factor. The choice of the Jastrow factor governs the final form of this Hamiltonian and its corresponding physical quantities.
We investigate such non-Hermitian transcorrelated Hamiltonians in a quantum-computing context. We analyze how different single-parameter Jastrow factors affect the structure of the final qubit Hamiltonian and evaluate the quantum resources required to solve them. Finally, we employ perturbation theory to derive an approximate solution for these non-Hermitian transcorrelated systems.
Keywords: Quantum Computing; Quantum Algorithm; Strong correlated system; Transcorrelated method