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Electronic structure methods typically benefit from symmetry breaking and restoration, specially in the strong correlation regime. The same goes for Ans\"atze on a quantum computer. We develop a unitary coupled cluster method on the…

Quantum Physics · Physics 2022-11-02 Armin Khamoshi , Guo P. Chen , Francesco A. Evangelista , Gustavo E. Scuseria

To avoid the combinatorial computational cost of configuration interaction (CI), we have previously introduced the symmetric tensor decomposition CI (STD-CI) method, where we take advantage of the antisymmetric nature of the electronic wave…

Chemical Physics · Physics 2015-06-24 Wataru Uemura , Shusuke Kasamatsu , Osamu Sugino

The antisymmetrized geminal power (AGP), a wave function equivalent to number-projected Hartree--Fock--Bogoliubov (HFB), and number-projected Bardeen--Cooper--Schrieffer (BCS) when working in the paired (natural orbitals) basis, has proven…

Strongly Correlated Electrons · Physics 2023-08-28 Zhiyuan Liu , Fei Gao , Guo P. Chen , Thomas M. Henderson , Jorge Dukelsky , Gustavo E. Scuseria

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…

Quantum Physics · Physics 2021-02-23 Armin Khamoshi , Francesco A. Evangelista , Gustavo E. Scuseria

The antisymmetrized geminal power (AGP) wave function has a long history and considerable conceptual appeal, but in many situations its accuracy is wanting. Here, we consider a form of configuration interaction (CI) based upon the AGP wave…

Chemical Physics · Physics 2020-05-14 Thomas M. Henderson , Gustavo E. Scuseria

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…

Chemical Physics · Physics 2021-03-24 Rishab Dutta , Guo P. Chen , Thomas M. Henderson , Gustavo E. Scuseria

Single-reference methods such as Hartree-Fock-based coupled cluster theory are well known for their accuracy and efficiency for weakly correlated systems. For strongly correlated systems, more sophisticated methods are needed. Recent…

Strongly Correlated Electrons · Physics 2021-02-23 Armin Khamoshi , Guo P. Chen , Thomas M. Henderson , Gustavo E. Scuseria

We propose and implement an algorithm to calculate the norm and reduced density matrices of the antisymmetrized geminal power (AGP) of any rank with polynomial cost. Our method scales quadratically per element of the reduced density…

Chemical Physics · Physics 2020-05-14 Armin Khamoshi , Thomas Henderson , Gustavo Scuseria

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…

Chemical Physics · Physics 2020-09-15 Rishab Dutta , Thomas M. Henderson , Gustavo E. Scuseria

We detail a quantum circuit capable of efficiently encoding analytical approximations to gravitational wave signal waveforms of compact binary coalescences into the amplitudes of quantum bits using both quantum arithmetic operations and…

Quantum Physics · Physics 2023-06-21 Fergus Hayes , Sarah Croke , Chris Messenger , Fiona Speirits

We present a quantum algorithm to prepare injective PEPS on a quantum computer, a class of open tensor networks representing quantum states. The run-time of our algorithm scales polynomially with the inverse of the minimum condition number…

Quantum Physics · Physics 2015-03-19 Martin Schwarz , Kristan Temme , Frank Verstraete

There has been an extensive development in the use of multi-partite entanglement as a resource for various quantum information processing tasks. In this paper we focus on preparing arbitrary spin eigenstates whose subset contain important…

Quantum Physics · Physics 2020-08-18 Amritesh Sharma , Ashwin A. Tulapurkar

The Dicke state $|D_k^n\rangle$ is an equal-weight superposition of all $n$-qubit states with Hamming Weight $k$ (i.e. all strings of length $n$ with exactly $k$ ones over a binary alphabet). Dicke states are an important class of entangled…

Quantum Physics · Physics 2020-08-27 Andreas Bärtschi , Stephan Eidenbenz

We propose an experimentally accessible procedure for conditional preparation of highly non-classical states of collective spin of an atomic ensemble. The quantum state engineering is based on a combination of QND interaction between atoms…

Quantum Physics · Physics 2013-05-29 Karel Lemr , Jaromir Fiurasek

Entangled resources enable quantum sensing that achieves Heisenberg scaling, a quadratic improvement on the standard quantum limit, but preparing large scale entangled states is challenging in the presence of decoherence. We present a…

Symmetry-projected wave function methods capture static correlation by breaking and restoring the symmetries of a system. In this article, we present the symmetry-projected spin antisymmetrized geminal power (spin-AGP) state projected onto…

Strongly Correlated Electrons · Physics 2025-07-14 Zhiyuan Liu , Thomas M. Henderson , Gustavo E. Scuseria

Sparse quantum state preparation is a common subroutine in quantum algorithms, where classical data with few nonzero entries must be loaded into a quantum state. In this work, we consider the Grover-Rudolph algorithm, which has recently…

Simulating of exotic phases of matter that are not amenable to classical techniques is one of the most important potential applications of quantum information processing. We present an efficient algorithm for preparing a large class of…

Quantum Physics · Physics 2013-09-30 Martin Schwarz , Toby S. Cubitt , Kristan Temme , Frank Verstraete , David Perez-Garcia

Quantum states that are symmetric under particle exchange play a crucial role in fields such as quantum metrology and quantum error correction. We use a variational circuit composed of global one-axis twisting and global rotations to…

We develop a bivariational principle for an antisymmetric product of nonorthogonal geminals. Special cases reduce to the antisymmetric product of strongly-orthogonal geminals (APSG), the generalized valence bond-perfect pairing (GVB-PP),…

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