Construction of linearly independent non-orthogonal AGP states

Abstract

We show how to construct a linearly independent set of antisymmetrized geminal power (AGP) states, which allows us to rewrite our recently introduced geminal replacement models as linear combinations of non-orthogonal AGPs. This greatly simplifies the evaluation of matrix elements and permits us to introduce an AGP-based selective configuration interaction method, which can reach arbitrary excitation levels relative to a reference AGP, balancing accuracy and cost as we see fit.

13 pages, 8 figures, 1 table, 3 appendices

References in corpus (7)

• The sign of the overlap of HFB wave functions
• Quasiparticle Coupled Cluster Theory for Pairing Interactions
• Symmetry broken and restored coupled-cluster theory I. Rotational symmetry and angular momentum
• Merging symmetry projection methods with coupled cluster theory: Lessons from the Lipkin model Hamiltonian
• Geminal replacement models based on AGP
• Exploring non-linear correlators on AGP
• Configuration Interaction with Antisymmetrized Geminal Powers

Cited by in corpus (14)

• Variational coupled cluster for ground and excited states
• Generalised Nonorthogonal Matrix Elements: Unifying Wick's Theorem and the Slater-Condon Rules
• Density Matrices of Seniority-Zero Geminal Wavefunctions
• Reduced Density Matrices / Static Correlation Functions of Richardson-Gaudin States Without Rapidities
• AGP-based unitary coupled cluster theory for quantum computers
• Robust formulation of Wick's theorem for computing matrix elements between Hartree-Fock-Bogoliubov wavefunctions
• Exploring Spin AGP Ansatze for Strongly Correlated Spin Systems
• State preparation of AGP on a quantum computer without number projection
• Variational theory combining number-projected BCS and coupled-cluster doubles
• Selected non-orthogonal configuration interaction with compressed single and double excitations
• Self-Refinement of Auxiliary-Field Quantum Monte Carlo via Non-Orthogonal Configuration Interaction
• Correlated pair ansatz with a binary tree structure
• Near-exact treatment of seniority-zero ground and excited states with a Richardson-Gaudin mean-field
• Symmetry-Projected Spin-AGP Methods Applied to Spin Systems