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Title: Correlating AGP on a quantum computer

Journal Article · · Quantum Science and Technology

For variational algorithms on the near term quantum computing hardware, it is highly desirable to use very accurate ansatze with low implementation cost. Recent studies have shown that the antisymmetrized geminal power (AGP) wavefunction can be an excellent starting point for ansatze describing systems with strong pairing correlations, as those occurring in superconductors. In this work, we show how AGP can be efficiently implemented on a quantum computer with circuit depth, number of CNOTs, and number of measurements being linear in system size. Using AGP as the initial reference, we propose and implement a unitary correlator on AGP and benchmark it on the ground state of the pairing Hamiltonian. Furthermore, the results show highly accurate ground state energies in all correlation regimes of this model Hamiltonian.

Research Organization:
Emory Univ., Atlanta, GA (United States)
Sponsoring Organization:
USDOE
Grant/Contract Number:
SC0019374
OSTI ID:
1677415
Journal Information:
Quantum Science and Technology, Vol. 6, Issue 1; ISSN 2058-9565
Publisher:
IOPscienceCopyright Statement
Country of Publication:
United States
Language:
English

References (47)

Particle-number projected Bogoliubov-coupled-cluster theory: Application to the pairing Hamiltonian journal April 2019
Exact parameterization of fermionic wave functions via unitary coupled cluster theory journal December 2019
Efficient evaluation of AGP reduced density matrices journal November 2019
New perspectives on unitary coupled-cluster theory journal January 2006
Error analysis and improvements of coupled-cluster theory journal January 1991
A Multireference Quantum Krylov Algorithm for Strongly Correlated Electrons journal February 2020
Is the Trotterized UCCSD Ansatz Chemically Well-Defined? journal November 2019
The Bravyi-Kitaev transformation for quantum computation of electronic structure journal December 2012
A variational eigenvalue solver on a photonic quantum processor journal July 2014
Quantum algorithms for electronic structure calculations: Particle-hole Hamiltonian and optimized wave-function expansions journal August 2018
On the Theory of Automorphic Functions of a Matrix Variable, II-The Classification of Hypercircles Under the Symplectic Group journal October 1944
Geminal-based configuration interaction journal August 2019
A derivation of the pairing-correlation method journal February 1960
Seniority and orbital symmetry as tools for establishing a full configuration interaction hierarchy journal July 2011
Pair extended coupled cluster doubles journal June 2015
Generalized Unitary Coupled Cluster Wave functions for Quantum Computation journal November 2018
Quantum Computing in the NISQ era and beyond journal August 2018
Quantum Algorithms to Simulate Many-Body Physics of Correlated Fermions journal April 2018
Projected quasiparticle theory for molecular electronic structure journal September 2011
Alternative single-reference coupled cluster approaches for multireference problems: The simpler, the better journal June 2011
Strategies for quantum computing molecular energies using the unitary coupled cluster ansatz journal October 2018
Can Single-Reference Coupled Cluster Theory Describe Static Correlation? journal June 2015
Benchmark studies of variational, unitary and extended coupled cluster methods journal December 2010
Half-Projection of the Strongly Orthogonal Unrestricted Geminals’ Product Wave Function journal December 2019
Barren plateaus in quantum neural network training landscapes journal November 2018
A restricted class of exact eigenstates of the pairing-force Hamiltonian journal February 1963
A Limited Memory Algorithm for Bound Constrained Optimization journal September 1995
A Polynomial Quantum Algorithm for Approximating the Jones Polynomial journal March 2008
Structure of Fermion Density Matrices. II. Antisymmetrized Geminal Powers journal September 1965
The theory of variational hybrid quantum-classical algorithms journal February 2016
Fermionic Quantum Computation journal May 2002
On the difference between variational and unitary coupled cluster theories journal January 2018
Quantum supremacy using a programmable superconducting processor journal October 2019
On Construction of Projection Operators journal March 2019
Jastrow-type Decomposition in Quantum Chemistry for Low-Depth Quantum Circuits journal January 2020
Projected Hartree–Fock theory journal April 2012
Half-Projected and Projected Hartree-Fock Calculations for Singlet Ground States. i. four-Electron Atomic Systems journal July 1973
Alternative coupled-cluster ansätze II. The unitary coupled-cluster method journal February 1989
Efficient symmetry-preserving state preparation circuits for the variational quantum eigensolver algorithm journal January 2020
A new approach to density matrix functional theory journal September 2003
Hardware-efficient variational quantum eigensolver for small molecules and quantum magnets journal September 2017
Exact and approximate symmetry projectors for the electronic structure problem on a quantum computer journal October 2019
Not All Qubits Are Created Equal: A Case for Variability-Aware Policies for NISQ-Era Quantum Computers
  • Tannu, Swamit S.; Qureshi, Moinuddin K.
  • ASPLOS '19: Architectural Support for Programming Languages and Operating Systems, Proceedings of the Twenty-Fourth International Conference on Architectural Support for Programming Languages and Operating Systems https://doi.org/10.1145/3297858.3304007
conference April 2019
Generalized Molecular Orbital Theory II journal September 1997
Quantum Chemistry in the Age of Quantum Computing journal August 2019
An adaptive variational algorithm for exact molecular simulations on a quantum computer journal July 2019
Low-depth circuit ansatz for preparing correlated fermionic states on a quantum computer journal September 2019

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