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Quantum self-consistent equation-of-motion method for computing molecular excitation energies, ionization potentials, and electron affinities on a quantum computer

https://doi.org/10.1039/d2sc05371c
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What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

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The iterative calculation of a few of the lowest eigenvalues and corresponding eigenvectors of large real-symmetric matrices
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Quantum chemistry of the excited state: 2005 overview
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High-order determinantal equation-of-motion coupled-cluster calculations for ionized and electron-attached states
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Approximate solution for electron correlation through the use of Schwinger probes
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The role of conical intersections and excited state reaction paths in photochemical pericyclic reactions
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Quantum Chemistry in the Age of Quantum Computing
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Non-adiabatic Excited-State Molecular Dynamics: Theory and Applications for Modeling Photophysics in Extended Molecular Materials
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Chemistry on Quantum Computers with Virtual Quantum Subspace Expansion
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Toward Quantum Computing for High-Energy Excited States in Molecular Systems: Quantum Phase Estimations of Core-Level States
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Relativistic EOM-CCSD for Core-Excited and Core-Ionized State Energies Based on the Four-Component Dirac–Coulomb(−Gaunt) Hamiltonian
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Probing Molecular Chirality of Ground and Electronically Excited States in the UV–vis and X-ray Regimes: An EOM-CCSD Study
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Orthogonal State Reduction Variational Eigensolver for the Excited-State Calculations on Quantum Computers
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Quantum Simulation of Molecular Electronic States with a Transcorrelated Hamiltonian: Higher Accuracy with Fewer Qubits
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Qubit Coupled Cluster Method: A Systematic Approach to Quantum Chemistry on a Quantum Computer
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Generalized Unitary Coupled Cluster Wave functions for Quantum Computation
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New and Efficient Equation-of-Motion Coupled-Cluster Framework for Core-Excited and Core-Ionized States
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Quantum Algorithm for the Direct Calculations of Vertical Ionization Energies
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Equation-of-Motion Theory to Calculate Accurate Band Structures with a Quantum Computer
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Excited-State Spectra of Strongly Correlated Molecules from a Reduced-Density-Matrix Approach
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Nonadiabatic Quantum Chemistry—Past, Present, and Future
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Multiconfiguration Self-Consistent Field and Multireference Configuration Interaction Methods and Applications
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inferredcites →https://doi.org/10.1038/s41534-021-00493-0openalex-snapshot
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inferredcites →https://doi.org/10.1038/s42004-022-00701-8openalex-snapshot
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inferredcites →https://doi.org/10.1039/b008428jopenalex-snapshot
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inferredcites →https://doi.org/10.1039/d1cp02227jopenalex-snapshot
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inferredcites →https://doi.org/10.1039/d1cp03156bopenalex-snapshot
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inferredcites →https://doi.org/10.1063/1.464746openalex-snapshot
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inferredcites →https://doi.org/10.1063/1.468022openalex-snapshot
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inferredcites →https://doi.org/10.1063/1.468592openalex-snapshot
Equation of motion coupled cluster method for electron attachment
inferredcites →https://doi.org/10.1063/1.469817openalex-snapshot
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inferredcites →https://doi.org/10.1063/1.474000openalex-snapshot
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inferredcites →https://doi.org/10.1063/1.4898709openalex-snapshot
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inferredcites →https://doi.org/10.1063/1.5030344openalex-snapshot
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inferredcites →https://doi.org/10.1063/1.5081715openalex-snapshot
Exact two-component equation-of-motion coupled-cluster singles and doubles method using atomic mean-field spin-orbit integrals
inferredcites →https://doi.org/10.1063/5.0019055openalex-snapshot
Unitary coupled cluster ground- and excited-state molecular properties
inferredcites →https://doi.org/10.1063/5.0070967openalex-snapshot
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inferredcites →https://doi.org/10.1070/rm1997v052n06abeh002155openalex-snapshot
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inferredcites →https://doi.org/10.1080/00268976.2021.1968056openalex-snapshot
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inferredcites →https://doi.org/10.1088/1367-2630/aafb8eopenalex-snapshot
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inferredcites →https://doi.org/10.1088/1367-2630/ab784copenalex-snapshot
Noise resilience of variational quantum compiling
inferredcites →https://doi.org/10.1088/1367-2630/ab867bopenalex-snapshot
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inferredcites →https://doi.org/10.1088/2058-9565/ab8ebcopenalex-snapshot
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inferredcites →https://doi.org/10.1103/physreva.31.1287openalex-snapshot
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inferredcites →https://doi.org/10.1103/physreva.47.3632openalex-snapshot
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inferredcites →https://doi.org/10.1103/physreva.68.052501openalex-snapshot
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inferredcites →https://doi.org/10.1103/physreva.95.042308openalex-snapshot
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inferredcites →https://doi.org/10.1103/physrevlett.121.010501openalex-snapshot
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inferredcites →https://doi.org/10.1103/physrevlett.122.140504openalex-snapshot
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inferredcites →https://doi.org/10.1103/physrevlett.126.070504openalex-snapshot
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inferredcites →https://doi.org/10.1103/physrevlett.126.210501openalex-snapshot
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inferredcites →https://doi.org/10.1103/physrevresearch.1.033062openalex-snapshot
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inferredcites →https://doi.org/10.1103/physrevresearch.2.043140openalex-snapshot
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inferredcites →https://doi.org/10.1103/revmodphys.92.015003openalex-snapshot
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inferredcites →https://doi.org/10.1126/sciadv.aap9646openalex-snapshot
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Quantum computation and quantum information
inferredcites →https://doi.org/10.1146/annurev.physchem.49.1.233openalex-snapshot
THE CONSTRUCTION AND INTERPRETATION OF MCSCF WAVEFUNCTIONS
inferredcites →https://doi.org/10.22331/q-2018-08-06-79openalex-snapshot
Quantum Computing in the NISQ era and beyond
inferredcites →https://doi.org/10.22331/q-2019-07-01-156openalex-snapshot
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inferredcites →https://doi.org/10.3929/ethz-b-000467868openalex-snapshot
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inferredcites →https://doi.org/10.5281/zenodo.2562110openalex-snapshot
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Incoming claims: where this work appears in other papers’ reference lists and arguments.

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