5 papers
Supramolecular approach-based intermolecular interaction energy calculations using quantum phase estimation algorithm
Yuhei Tachi, Akihiko Arakawa, Taisei Osawa +2
Accurate computation of non-covalent, intermolecular interaction energies is important to understand various chemical phenomena, and quantum computers are anticipated to accelerate…
Size-consistent implementation of Hamiltonian simulation-based quantum-selected configuration interaction method for the supramolecular approach
Kenji Sugisaki
The quantum-selected configuration interaction (QSCI) method is a promising approach for large-scale quantum chemical calculations on currently available quantum hardware. However,…
Quantum phase estimation based filtering: performance analysis and application to low-energy spectral calculation
Rei Sakuma, Kaito Wada, Shu Kanno +5
Filtering is an important technique in quantum computing used for isolating or enhancing some specific states of quantum many-body systems. In this paper, we analyze the performanc…
Robust phase estimation of the ground-state energy without controlled time evolution on a quantum device
Hiroki Kuji, Yuta Shingu, Tetsuro Nikuni +3
Estimating the ground-state energy of Hamiltonians in quantum systems is an important task. In this work, we demonstrate that the ground-state energy can be accurately estimated wi…
Hamiltonian simulation-based quantum-selected configuration interaction for large-scale electronic structure calculations with a quantum computer
Kenji Sugisaki, Shu Kanno, Toshinari Itoko +2
Quantum-selected configuration interaction (QSCI) is an approach for quantum chemical calculations using current quantum computers. In conventional QSCI, Slater determinants used f…