Unitary Coupled Cluster: Seizing the Quantum Moment
arXiv:2305.01097 · doi:10.1021/acs.jpca.3c02781
Abstract
Shallow, CNOT-efficient quantum circuits are crucial for performing accurate computational chemistry simulations on current noisy quantum hardware. Here, we explore the usefulness of non-iterative energy corrections, based on the method of moments of coupled-cluster theory, for accelerating convergence toward full configuration interaction. Our preliminary numerical results relying on iteratively constructed ansätze suggest that chemically accurate energies can be obtained with substantially more compact circuits, implying enhanced resilience to gate and decoherence noise.
References in corpus (31)
- A variational eigenvalue solver on a quantum processor
- Variational Quantum Algorithms
- The theory of variational hybrid quantum-classical algorithms
- Noisy intermediate-scale quantum (NISQ) algorithms
- Evaluating analytic gradients on quantum hardware
- The Variational Quantum Eigensolver: a review of methods and best practices
- An adaptive variational algorithm for exact molecular simulations on a quantum computer
- A quantum algorithm providing exponential speed increase for finding eigenvalues and eigenvectors
- Towards Quantum Chemistry on a Quantum Computer
- Simulation of Many-Body Fermi Systems on a Universal Quantum Computer
- Determining eigenstates and thermal states on a quantum computer using quantum imaginary time evolution
- Hybrid quantum-classical algorithms and quantum error mitigation
- Hybrid Quantum-Classical Hierarchy for Mitigation of Decoherence and Determination of Excited States
- qubit-ADAPT-VQE: An adaptive algorithm for constructing hardware-efficient ansatze on a quantum processor
- A deterministic alternative to the full configuration interaction quantum Monte Carlo method
- An adaptive configuration interaction approach for strongly correlated electrons with tunable accuracy
- Quantum Package 2.0: An Open-Source Determinant-Driven Suite of Programs
- A Non-Orthogonal Variational Quantum Eigensolver
- Hybrid stochastic-deterministic calculation of the second-order perturbative contribution of multireference perturbation theory
- Qubit-excitation-based adaptive variational quantum eigensolver
- Hybrid quantum-classical algorithms in the noisy intermediate-scale quantum era and beyond
- Quantum Solver of Contracted Eigenvalue Equations for Scalable Molecular Simulations on Quantum Computing Devices
- Quantum Computation of Finite-Temperature Static and Dynamical Properties of Spin Systems Using Quantum Imaginary Time Evolution
- On the difference between variational and unitary coupled cluster theories
- Efficient quantum circuits for quantum computational chemistry
- A Feasible Approach for Automatically Differentiable Unitary Coupled-Cluster on Quantum Computers
- Simulating Many-Body Systems with a Projective Quantum Eigensolver
- Unitary Selective Coupled-Cluster Method
- A Stochastic Approach to Unitary Coupled Cluster
- Is Externally Corrected Coupled Cluster Always Better than the Underlying Truncated Configuration Interaction?
- Mapping renormalized coupled cluster methods to quantum computers through a compact unitary representation of non-unitary operators
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- A new "gold standard": perturbative triples corrections in unitary coupled cluster theory and prospects for quantum computing
- Energy Landscape Plummeting in Variational Quantum Eigensolver: Subspace Optimization, Non-iterative Corrections and Generator-informed Initialization for Improved Quantum Efficiency
- Compact Multi-Threshold Quantum Information Driven Ansatz For Strongly Interactive Lattice Spin Models
- Comparative study on compact quantum circuits of hybrid quantum-classical algorithms for quantum impurity models