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Generalized unitary coupled cluster excitations for multireference molecular states optimized by the variational quantum eigensolver

https://doi.org/10.1002/qua.26352
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Outgoing claims: the papers this work cites, builds on, or argues with.

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The Quantum Chemistry of Open‐Shell Species
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Fermionic Quantum Computation
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Size-consistent Brueckner theory limited to double substitutions
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Can Single-Reference Coupled Cluster Theory Describe Static Correlation?
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Psi4 1.1: An Open-Source Electronic Structure Program Emphasizing Automation, Advanced Libraries, and Interoperability
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Qubit Coupled Cluster Method: A Systematic Approach to Quantum Chemistry on a Quantum Computer
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Constrained Variational Quantum Eigensolver: Quantum Computer Search Engine in the Fock Space
inferredcites →https://doi.org/10.1021/acs.jctc.8b01004openalex-snapshot
Generalized Unitary Coupled Cluster Wave functions for Quantum Computation
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Quantum Chemistry on Quantum Computers: A Method for Preparation of Multiconfigurational Wave Functions on Quantum Computers without Performing Post-Hartree–Fock Calculations
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Multiconfiguration Self-Consistent Field and Multireference Configuration Interaction Methods and Applications
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Singlet−Triplet Energy Gaps for Diradicals from Fractional-Spin Density-Functional Theory
inferredcites →https://doi.org/10.1021/jp300633jopenalex-snapshot
Unrestricted Prescriptions for Open-Shell Singlet Diradicals: Using Economical Ab Initio and Density Functional Theory to Calculate Singlet–Triplet Gaps and Bond Dissociation Curves
inferredcites →https://doi.org/10.1038/nature23879openalex-snapshot
Hardware-efficient variational quantum eigensolver for small molecules and quantum magnets
inferredcites →https://doi.org/10.1038/ncomms5213openalex-snapshot
A variational eigenvalue solver on a photonic quantum processor
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An adaptive variational algorithm for exact molecular simulations on a quantum computer
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Calculating energy derivatives for quantum chemistry on a quantum computer
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Low rank representations for quantum simulation of electronic structure
inferredcites →https://doi.org/10.1038/s41592-019-0686-2openalex-snapshot
SciPy 1.0: fundamental algorithms for scientific computing in Python
inferredcites →https://doi.org/10.1039/c8sc05592kopenalex-snapshot
Revising the measurement process in the variational quantum eigensolver: is it possible to reduce the number of separately measured operators?
inferredcites →https://doi.org/10.1063/1.1287275openalex-snapshot
Structure of the exact wave function
inferredcites →https://doi.org/10.1063/1.1498819openalex-snapshot
Singlet-triplet gaps in diradicals by the spin-flip approach: A benchmark study
inferredcites →https://doi.org/10.1063/1.2179070openalex-snapshot
Towards a spin-adapted coupled-cluster theory for high-spin open-shell states
inferredcites →https://doi.org/10.1063/1.3503767openalex-snapshot
Quantum computing applied to calculations of molecular energies: CH2 benchmark
inferredcites →https://doi.org/10.1063/1.460385openalex-snapshot
Theoretical assignment of the visible spectrum of singlet methylene
inferredcites →https://doi.org/10.1063/1.465990openalex-snapshot
Coupled cluster theory for high spin, open shell reference wave functions
inferredcites →https://doi.org/10.1063/1.466359openalex-snapshot
Spin adapted restricted Hartree–Fock reference coupled cluster theory for open shell systems
inferredcites →https://doi.org/10.1063/1.469812openalex-snapshot
Comparison of the open-shell state-universal and state-selective coupled-cluster theories: H4 and H8 models
inferredcites →https://doi.org/10.1063/1.475220openalex-snapshot
Spin-restricted open-shell coupled-cluster theory
inferredcites →https://doi.org/10.1063/1.4880755openalex-snapshot
Adiabatic state preparation study of methylene
inferredcites →https://doi.org/10.1063/1.4880819openalex-snapshot
Seniority zero pair coupled cluster doubles theory
inferredcites →https://doi.org/10.1063/1.5094643openalex-snapshot
Downfolding of many-body Hamiltonians using active-space models: Extension of the sub-system embedding sub-algebras approach to unitary coupled cluster formalisms
inferredcites →https://doi.org/10.1063/1.5133059openalex-snapshot
Exact parameterization of fermionic wave functions via unitary coupled cluster theory
inferredcites →https://doi.org/10.1088/2058-9565/aad3e4openalex-snapshot
Strategies for quantum computing molecular energies using the unitary coupled cluster ansatz
inferredcites →https://doi.org/10.1088/2058-9565/ab8ebcopenalex-snapshot
OpenFermion: the electronic structure package for quantum computers
inferredcites →https://doi.org/10.1103/physreva.47.2738openalex-snapshot
Application of Hilbert-space coupled-cluster theory to simple ( H 2 ) 2 model systems: Planar models
inferredcites →https://doi.org/10.1103/physreva.49.3479openalex-snapshot
Application of Hilbert-space coupled-cluster theory to simple ( H 2 ) 2 model systems. II. Nonplanar models
inferredcites →https://doi.org/10.1103/physreva.95.042308openalex-snapshot
Hybrid quantum-classical hierarchy for mitigation of decoherence and determination of excited states
inferredcites →https://doi.org/10.1103/physrevlett.122.140504openalex-snapshot
Accelerated Variational Quantum Eigensolver
inferredcites →https://doi.org/10.1103/physrevlett.122.180501openalex-snapshot
Error-Mitigated Digital Quantum Simulation
inferredcites →https://doi.org/10.1103/physrevlett.122.230401openalex-snapshot
Quantum Computation of Electronic Transitions Using a Variational Quantum Eigensolver
inferredcites →https://doi.org/10.1103/physrevlett.84.2108openalex-snapshot
Can the Eigenstates of a Many-Body Hamiltonian Be Represented Exactly Using a General Two-Body Cluster Expansion?
inferredcites →https://doi.org/10.1103/physrevresearch.2.033421openalex-snapshot
Orbital optimized unitary coupled cluster theory for quantum computer
inferredcites →https://doi.org/10.1103/revmodphys.79.291openalex-snapshot
Coupled-cluster theory in quantum chemistry
inferredcites →https://doi.org/10.17863/cam.64134openalex-snapshot
SciPy 1.0: fundamental algorithms for scientific computing in Python
inferredcites →https://doi.org/10.22331/q-2018-01-31-49openalex-snapshot
ProjectQ: an open source software framework for quantum computing
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
Variational Quantum Computation of Excited States
inferredcites →https://doi.org/10.3929/ethz-b-000467868openalex-snapshot
Quantum equation of motion for computing molecular excitation energies on a noisy quantum processor
inferredcites →https://doi.org/10.48550/arxiv.1906.08728openalex-snapshot
Hybrid Quantum/Classical Derivative Theory: Analytical Gradients and Excited-State Dynamics for the Multistate Contracted Variational Quantum Eigensolver

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

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Size‐consistency and orbital‐invariance issues revealed by VQE‐UCCSD calculations with the FMO scheme
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The basics of quantum computing for chemists
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Determination of Molecular Symmetry Adapted Eigenroots in the Variational Quantum Eigensolver Framework
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Open Source Variational Quantum Eigensolver Extension of the Quantum Learning Machine (QLM) for Quantum Chemistry
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Introduction to the application of quantum computing in quantum chemistry
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Variational quantum eigenvalue solver algorithm utilizing bridge-inspired quantum circuits and a gradient filter module
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The Variational Quantum Eigensolver: A review of methods and best practices
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Fighting Noise with Noise: A Stochastic Projective Quantum Eigensolver
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Unitary Block-Correlated Coupled Cluster Ansatz Based on the Generalized Valence Bond Wave Function for Quantum Simulation
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Thermal Weight Determination and Interstate Coupling in State-Averaged ADAPT-VQE
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Spin-Flip Unitary Coupled Cluster Method: Toward Accurate Description of Strong Electron Correlation on Quantum Computers
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Calculation of Core-Excited and Core-Ionized States Using Variational Quantum Deflation Method and Applications to Photocatalyst Modeling
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Quantum Machine-Learning for Eigenstate Filtration in Two-Dimensional Materials
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Variational quantum eigensolver with reduced circuit complexity
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Molecular excited state calculations with adaptive wavefunctions on a quantum eigensolver emulation: reducing circuit depth and separating spin states
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Variational quantum eigensolver simulations with the multireference unitary coupled cluster ansatz: a case study of the C 2 v quasi-reaction pathway of beryllium insertion into a H 2 molecule
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A quantum computing view on unitary coupled cluster theory
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Determination of molecular excited states via symmetry guided subspace search variational quantum eigensolver
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Capabilities and limits of the unitary coupled-cluster approach with generalized two-body cluster operators
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Quantum and classical computational synergy for emerging contaminants management: Advanced insights into cytochrome P450 metabolic mechanisms
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Quantum Davidson algorithm for excited states
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Excited-state downfolding using ground-state formalisms
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Algorithm for multireference unitary coupled-cluster quantum computations of molecule systems
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Ab initio polaritonic chemistry on diverse quantum computing platforms: Ansatz circuit design for qubit, qudit, and hybrid qubit-qumode architectures
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Variational quantum subspace construction via symmetry-preserving cost functions
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Coupled cluster downfolding theory in simulations of correlated systems on quantum hardware
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Hybrid quantum-classical algorithms for solving quantum chemistry in Hamiltonian–wave-function space
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Quantum computing critical exponents
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Noisy intermediate-scale quantum algorithm for semidefinite programming
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Progress toward larger molecular simulation on a quantum computer: Simulating a system with up to 28 qubits accelerated by point-group symmetry
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Performance comparison of optimization methods on variational quantum algorithms
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Block Lanczos method for excited states on a quantum computer
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Penalty methods for a variational quantum eigensolver
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Pulse variational quantum eigensolver on cross-resonance-based hardware
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Doubling the Size of Quantum Simulators by Entanglement Forging
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Trapped ion quantum hardware demonstration of energy calculations using a multireference unitary coupled cluster ansatz: application to the BeH$$_2$$ insertion problem
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Modelling carbon capture on metal-organic frameworks with quantum computing
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Additional file 1 of Modelling carbon capture on metal-organic frameworks with quantum computing
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