10 citations · 25 across the 8 of their papers we have counts for
8 papers
Relativistic VQE calculations of molecular electric dipole moments on trapped ion quantum hardware
Palak Chawla, Shweta, K. R. Swain +9
The quantum-classical hybrid variational quantum eigensolver (VQE) algorithm is among the most actively studied topics in atomic and molecular calculations on quantum computers, ye…
Size-consistency and orbital-invariance issues revealed by VQE-UCCSD calculations with the FMO scheme
Kenji Sugisaki, Tatsuya Nakano, Yuji Mochizuki
The fragment molecular orbital (FMO) scheme is one of the popular fragmentation-based methods and has the potential advantage of making the circuit flat in quantum chemical calcula…
Projective Quantum Phase Difference Estimation Algorithm for the Direct Computation of Eigenenergy Gaps on a Quantum Computer
Kenji Sugisaki
Quantum computers are capable of calculating the energy gap of two electronic states by using the quantum phase difference estimation (QPDE) algorithm. The Bayesian inference based…
Bayesian phase difference estimation algorithm for direct calculation of fine structure splitting: accelerated simulation of relativistic and quantum many-body effects
Kenji Sugisaki, V. S. Prasannaa, Satoshi Ohshima +4
Despite rapid progress in the development of quantum algorithms in quantum computing as well as numerical simulation methods in classical computing for atomic and molecular applica…
Adapting the HHL algorithm to quantum many-body theory
Nishanth Baskaran, Abhishek Singh Rawat, Akshaya Jayashankar +6
Rapid progress in developing near- and long-term quantum algorithms for quantum chemistry has provided us with an impetus to move beyond traditional approaches and explore new ways…
Accurate Computation of Relativistic Excitation Energies Using Quantum Annealing
Vikrant Kumar, Nishanth Baskaran, V. S. Prasannaa +4
We report the first results for the computation of relativistic effects in quantum many-body systems using quantum annealers. An average accuracy of 98.9% in the fine structure spl…
Molecular electric dipole moments: from light to heavy molecules using a relativistic VQE algorithm
K. R. Swain, V. S. Prasannaa, Kenji Sugisaki +1
The quantum-classical hybrid Variational Quantum Eigensolver (VQE) algorithm is recognized to be the most suitable approach to obtain ground state energies of quantum many-body sys…
Direct estimation of the energy gap between the ground state and excited state with quantum annealing
Yuichiro Matsuzaki, Hideaki Hakoshima, Kenji Sugisaki +2
Quantum chemistry is one of the important applications of quantum information technology. Especially, an estimation of the energy gap between a ground state and excited state of a…