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Title: Quantum Orbital Minimization Method for Excited States Calculation on a Quantum Computer

Journal Article · · Journal of Chemical Theory and Computation
ORCiD logo [1];  [2];  [3]
  1. Department of Physics, Duke University, Durham, North Carolina 27708-0187, United States
  2. School of Mathematical Sciences, Fudan University, Shanghai 200433, China
  3. Department of Physics, Duke University, Durham, North Carolina 27708-0187, United States; Department of Mathematics, Duke University, Durham, North Carolina 27708-0187, United States; Department of Chemistry, Duke University, Durham, North Carolina 27708-0187, United States

Not provided.

Research Organization:
Duke Univ., Durham, NC (United States)
Sponsoring Organization:
USDOE Office of Science (SC)
DOE Contract Number:
SC0019449
OSTI ID:
1977931
Journal Information:
Journal of Chemical Theory and Computation, Vol. 18, Issue 8; ISSN 1549-9618
Publisher:
American Chemical Society
Country of Publication:
United States
Language:
English

References (40)

Quantum supremacy using a programmable superconducting processor journal October 2019
Quantum computational advantage using photons journal December 2020
An excited-state approach within full configuration interaction quantum Monte Carlo journal October 2015
Excited states using semistochastic heat-bath configuration interaction journal October 2017
Adaptive Configuration Interaction for Computing Challenging Electronic Excited States with Tunable Accuracy journal October 2017
CoordinateWise Descent Methods for Leading Eigenvalue Problem journal January 2019
Coordinate Descent Full Configuration Interaction journal April 2019
Optimal Orbital Selection for Full Configuration Interaction (OptOrbFCI): Pursuing the Basis Set Limit under a Budget journal August 2020
Quantum Algorithm Providing Exponential Speed Increase for Finding Eigenvalues and Eigenvectors journal December 1999
Simulated Quantum Computation of Molecular Energies journal September 2005
A variational eigenvalue solver on a photonic quantum processor journal July 2014
Quantum Algorithms for Quantum Chemistry and Quantum Materials Science journal October 2020
Quantum computational chemistry journal March 2020
Hybrid quantum-classical hierarchy for mitigation of decoherence and determination of excited states journal April 2017
Computation of Molecular Spectra on a Quantum Processor with an Error-Resilient Algorithm journal February 2018
Gate-Efficient Simulation of Molecular Eigenstates on a Quantum Computer journal April 2019
Quantum equation of motion for computing molecular excitation energies on a noisy quantum processor journal October 2020
The theory of variational hybrid quantum-classical algorithms journal February 2016
Finding excited states of physical Hamiltonians on a silicon quantum photonic device conference January 2017
Witnessing eigenstates for quantum simulation of Hamiltonian spectra journal January 2018
Variational Quantum Computation of Excited States journal July 2019
Variational quantum algorithms for discovering Hamiltonian spectra journal June 2019
Subspace-search variational quantum eigensolver for excited states journal October 2019
Orbital minimization method with ℓ1 regularization journal May 2017
A Limited Memory Algorithm for Bound Constrained Optimization journal September 1995
Hardware-efficient variational quantum eigensolver for small molecules and quantum magnets journal September 2017
Simultaneous Perturbation Stochastic Approximation of the Quantum Fisher Information journal October 2021
Hamiltonian simulation using linear combinations of unitary operations journal November 2012
Strategies for quantum computing molecular energies using the unitary coupled cluster ansatz journal October 2018
Qiskit: An Open-source Framework for Quantum Computing software January 2019
P y SCF: the Python-based simulations of chemistry framework : The PySCF program
  • Sun, Qiming; Berkelbach, Timothy C.; Blunt, Nick S.
  • Wiley Interdisciplinary Reviews: Computational Molecular Science, Vol. 8, Issue 1 https://doi.org/10.1002/wcms.1340
journal September 2017
Tapering off qubits to simulate fermionic Hamiltonians preprint January 2017
Triangularized Orthogonalization-free Method for Solving Extreme Eigenvalue Problems preprint January 2020
Global Convergence of Triangularized Orthogonalization-free Method preprint January 2021
Learning the quantum algorithm for state overlap journal November 2018
Cost function dependent barren plateaus in shallow parametrized quantum circuits journal March 2021
Noise-induced barren plateaus in variational quantum algorithms journal November 2021
An adaptive variational algorithm for exact molecular simulations on a quantum computer journal July 2019
Qubit-ADAPT-VQE: An Adaptive Algorithm for Constructing Hardware-Efficient Ansätze on a Quantum Processor journal April 2021
Qubit-excitation-based adaptive variational quantum eigensolver journal October 2021