21 citations · 51 across the 15 of their papers we have counts for
5 papers · 1 filter
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…
Determining Molecular Ground State with Quantum Imaginary Time Evolution using Broken-Symmetry Wave Function
Pawan Sharma Poudel, Kenji Sugisaki, Michal Hajdušek +1
The Hartree-Fock (HF) wave function, commonly used for approximating molecular ground states, becomes nonideal in open shell systems due to the inherent multi-configurational natur…
Applications of the Quantum Phase Difference Estimation Algorithm to the Excitation Energies in Spin Systems on a NISQ Device
Boni Paul, Sudhindu Bikash Mandal, Kenji Sugisaki +1
The Quantum Phase Difference Estimation (QPDE) algorithm, as an extension of the Quantum Phase Estimation (QPE), is a quantum algorithm designed to compute the differences of two e…