Geminal replacement models based on AGP

Abstract

The antisymmetrized geminal power (AGP) wavefunction has a long history and is known by different names in various chemical and physical problems. There has been recent interest in using AGP as a starting point for strongly correlated electrons. Here, we show that in a seniority-conserving regime, different AGP based correlator representations based on generators of the algebra, killing operators, and geminal replacement operators are all equivalent. We implement one representation that uses number operators as correlators and has linearly independent curvilinear metrics to distinguish the regions of Hilbert space. This correlation method called J-CI, provides excellent accuracy in energies when applied to the pairing Hamiltonian.

10 pages, 4 figures, 1 table

References in corpus (28)

• Exactly solvable Richardson-Gaudin models for many-body quantum systems
• Projected Hartree-Fock Theory
• Projected Quasiparticle Theory for Molecular Electronic Structure
• Can single-reference coupled cluster theory describe static correlation?
• Eigenvectors of tensors and algorithms for Waring decomposition
• Fixed-N Superconductivity: The Crossover from the Bulk to the Few-Electron Limit
• Quasiparticle Coupled Cluster Theory for Pairing Interactions
• An exactly size consistent geminal power via Jastrow factor networks in a local one particle basis
• The Jastrow antisymmetric geminal power in Hilbert space: theory, benchmarking, and application to a novel transition state
• Pair extended coupled cluster doubles
• Polynomial Similarity Transformation Theory: A smooth interpolation between coupled cluster doubles and projected BCS applied to the reduced BCS Hamiltonian
• Static and dynamical correlation in diradical molecules by Quantum Monte Carlo using the Jastrow Antisymmetrized Geminal Power ansatz
• Particle-number projected Bogoliubov coupled cluster theory. Application to the pairing Hamiltonian
• Correlating AGP on a quantum computer
• Geminal-Based Configuration Interaction
• Waring decompositions of monomials
• Range Separated Brueckner Coupled Cluster Doubles Theory
• Efficient evaluation of AGP reduced density matrices
• Correlating the Antisymmetrized Geminal Power Wave Function
• Projected Coupled Cluster Theory: Optimization of cluster amplitudes in the presence of symmetry projection
• Wave function methods for canonical ensemble thermal averages in correlated many-fermion systems
• On the norm overlap between many-body states. I. Uncorrelated overlap between arbitrary Bogoliubov product states
• Configuration Interaction with Antisymmetrized Geminal Powers
• Influence of broken-pair excitations on the exact pair wavefunction
• Number conserving particle-hole RPA for superfluid nuclei
• Four-body correlation embedded in antisymmetrized geminal power wave function
• Antisymmetrized Geminal Powers with Larger Chemical Basis Sets
• Tensor decomposition methods for correlated electron pairs

Cited by in corpus (16)

• Variational coupled cluster for ground and excited states
• Exploring non-linear correlators on AGP
• Density Matrices of Seniority-Zero Geminal Wavefunctions
• Construction of linearly independent non-orthogonal AGP states
• Reduced Density Matrices / Static Correlation Functions of Richardson-Gaudin States Without Rapidities
• Wave function methods for canonical ensemble thermal averages in correlated many-fermion systems
• AGP-based unitary coupled cluster theory for quantum computers
• Robust formulation of Wick's theorem for computing matrix elements between Hartree-Fock-Bogoliubov wavefunctions
• Reduced density matrix functional theory from an ab initio seniority-zero wave function: Exact and approximate formulations along adiabatic connection paths
• Exploring Spin AGP Ansatze for Strongly Correlated Spin Systems
• State preparation of AGP on a quantum computer without number projection
• Accurate and precise quantum computation of valence two-neutron systems
• Correlated pair ansatz with a binary tree structure
• Near-exact treatment of seniority-zero ground and excited states with a Richardson-Gaudin mean-field
• Transition density matrices of Richardson-Gaudin states
• Symmetry-Projected Spin-AGP Methods Applied to Spin Systems