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We perform a systematic investigation of variational forms (wave function Ans\"atze), to determine the ground state energies and properties of two-dimensional model fermionic systems on triangular lattices (with and without periodic…

Predicting the properties of strongly correlated materials is a significant challenge in condensed matter theory. The widely used dynamical mean-field theory faces difficulty in solving quantum impurity models numerically. Hybrid…

We present a novel quantum algorithm for approximating the ground-state in quantum many-body systems, particularly suited for Noisy Intermediate-Scale Quantum (NISQ) devices. Our approach integrates Variational Quantum Eigensolvers (VQE)…

Quantum Physics · Physics 2024-03-18 Yihao Liu , Min-Quan He , Z. D. Wang

The variational quantum eigensolver (VQE) is a method that uses a hybrid quantum-classical computational approach to find eigenvalues and eigenvalues of a Hamiltonian. VQE has been proposed as an alternative to fully quantum algorithms such…

Quantum Physics · Physics 2021-09-01 Dmitry A. Fedorov , Bo Peng , Niranjan Govind , Yuri Alexeev

Estimating the ground state energy of a multiparticle system with relative error $\e$ using deterministic classical algorithms has cost that grows exponentially with the number of particles. The problem depends on a number of state…

Quantum Physics · Physics 2013-07-23 Anargyros Papageorgiou , Iasonas Petras , Joseph F. Traub , Chi Zhang

A new basis adaptive algorithm for hybrid quantum-classical platforms is introduced to efficiently find the ground-state (gs) properties of quantum many-body systems. The method addresses limitations of many algorithms, such as Variational…

Strongly Correlated Electrons · Physics 2025-12-16 Anutosh Biswas , Sayan Ghosh , Ritajit Majumdar , Mostafizur Rahaman , Manoranjan Kumar

The Coupled Cluster (CC) method is used to compute the electronic correlation energy in atoms and molecules and often leads to highly accurate results. However, due to its single-reference nature, standard CC in its projected form fails to…

Quantum computation offers a promising alternative to classical computing methods in many areas of numerical science, with algorithms that make use of the unique way in which quantum computers store and manipulate data often achieving…

Quantum Physics · Physics 2022-07-19 Christopher D. Phillips , Vladimir I. Okhmatovski

Accurate ground-state calculations on noisy quantum computers are fundamentally limited by restricted ansatz expressivity and unavoidable hardware errors. We introduce a hybrid-quantum classical framework that simultaneously addresses these…

The advantage that many quantum algorithms have over their classical counterparts may be lost when the results are extracted as classical data (output problem). One example are eigenpair solvers, which encode the eigenpairs in a quantum…

Quantum Physics · Physics 2025-11-13 Sven Danz

Hardware-efficient empirical variational ans\"atze for Variational Quantum Eigensolver simulations of Quantum Chemistry suffer from the lack of a direct connection to classical Quantum Chemistry methods. In the present work, we propose a…

Quantum Physics · Physics 2025-09-03 Davide Materia , Leonardo Ratini , Celestino Angeli , Leonardo Guidoni

Current noisy intermediate-scale quantum (NISQ) devices remain limited in their ability to perform accurate quantum chemistry simulations due to restricted numbers of high-fidelity qubits and short coherence times. To overcome these…

Quantum Physics · Physics 2026-04-23 Yuhan Zheng , Yibin Guo , Huili Zhang , Jie Liu , Xiongzhi Zeng , Xiaoxia Cai , Zhenyu Li , Jinlong Yang

As in the density matrix renormalization group (DMRG) method, approximating many-body wave function of electrons using a matrix product state (MPS) is a promising way to solve electronic structure problems. The expressibility of an MPS is…

Quantum Physics · Physics 2023-01-18 Yi Fan , Jie Liu , Zhenyu Li , Jinlong Yang

Neural quantum states (NQS) have gained prominence in variational quantum Monte Carlo methods in approximating ground-state wavefunctions. Despite their success, they face limitations in optimization, scalability, and expressivity in…

Quantum Physics · Physics 2025-01-22 Zongkang Zhang , Ying Li , Xiaosi Xu

From fundamental sciences to economics and industry, discrete optimization problems are ubiquitous. Yet, their complexity often renders exact solutions intractable, necessitating the use of approximate methods. Heuristics inspired by…

Quantum Physics · Physics 2025-11-20 Lorenzo Fioroni , Vincenzo Savona

The variational quantum eigensolver (or VQE) uses the variational principle to compute the ground state energy of a Hamiltonian, a problem that is central to quantum chemistry and condensed matter physics. Conventional computing methods are…

A new iterative solver is proposed to efficiently calculate the ground state electronic structure in Density Functional Theory calculations. This algorithm is particularly useful for simulating physical systems considered difficult to…

Computational Physics · Physics 2021-11-24 Jean-Luc Fattebert

The Hubbard model has occupied the minds of condensed matter physicists for most part of the last century. This model provides insight into a range of phenomena in correlated electron systems. We wish to examine the paradigm of quantum…

Quantum Physics · Physics 2026-05-12 Kunal Vyas , Fengping Jin , Hans De Raedt , Kristel Michielsen

In this work we present an experimental demonstration of the Contextual Subspace Variational Quantum Eigensolver on superconducting quantum hardware. In particular, we compute the potential energy curve for molecular nitrogen, where a…

Quantum Physics · Physics 2025-02-13 Tim Weaving , Alexis Ralli , Peter J. Love , Sauro Succi , Peter V. Coveney

The variational quantum eigensolver (VQE) is one of the most promising algorithms to find eigenvalues and eigenvectors of a given Hamiltonian on noisy intermediate-scale quantum (NISQ) devices. A particular application is to obtain ground…