Finding the ground state energy and wavefunction of a quantum many-body system is a key problem in quantum physics and chemistry. We study this problem for the long-range XY model by using the variational quantum eigensolver (VQE) algorithm. We consider VQE ansatzes with full and linear entanglement structures consisting of different building gates: the CNOT gate, the controlled-rotation (CRX) gate, and the two-qubit rotation (TQR) gate. We find that the full-entanglement CRX and TQR ansatzes can sufficiently describe the ground state energy of the long-range XY model. In contrast, only the full-entanglement TQR ansatz can represent the ground state wavefunction with a fidelity close to one. In addition, we find that instead of using full-entanglement ansatzes, restricted-entanglement ansatzes where entangling gates are applied only between qubits that are a fixed distance from each other already suffice to give acceptable solutions. Using the entanglement entropy to characterize the expressive powers of the VQE ansatzes, we show that the full-entanglement TQR ansatz has the highest expressive power among them.
Finding the ground state energy and wavefunction of a quantum many-body system is a key problem in quantum physics and chemistry. We study this problem for the long-range XY model by using the variational quantum eigensolver (VQE) algorithm. We consider VQE ansatzes with full and linear entanglement structures consisting of different building gates: the CNOT gate, the controlled-rotation (CRX) gate, and the two-qubit rotation (TQR) gate. We find that the full-entanglement CRX and TQR ansatzes can sufficiently describe the ground state energy of the long-range XY model. In contrast, only the full-entanglement TQR ansatz can represent the ground state wavefunction with a fidelity close to one. In addition, we find that instead of using full-entanglement ansatzes, restricted-entanglement ansatzes where entangling gates are applied only between qubits that are a fixed distance from each other already suffice to give acceptable solutions. Using the entanglement entropy to characterize the expressive powers of the VQE ansatzes, we show that the full-entanglement TQR ansatz has the highest expressive power among them.
We investigate variational quantum eigensolver (VQE) ansatzes for simulating the ground state of the long-range XY model. We compare entanglers based on parametric controlled- Rx ( CRx ), Rxx and combined Rxx and Ryy rotations ( RxxRyy ), considering both homogeneous and inhomogeneous parameter-sharing schemes. Numerical simulations show that the mean-field ansatz reproduces the mean-field energy but fails to capture quantum correlations. Introducing entanglers reveals distinct trade-offs between expressibility and trainability. The inhomogeneous CRx ansatz yields accurate energies with shallow circuits, whereas the homogeneous Rxx ansatz benefits from symmetry and a smoother optimization landscape. Notably, the RxxRyy ansatz delivers the highest fidelity across the entire phase diagram, with the inhomogeneous version achieving high accuracy using only two layers, and the homogeneous one also exhibiting good performance with moderate depth. These results underline the importance of tailoring ansatz structure and parameter sharing to the underlying Hamiltonian to enable efficient and accurate quantum simulation on near-term devices.
The Variational Quantum Eigensolver (VQE) is a leading hybrid quantum-classical algorithm for simulating many-body systems in the NISQ era. Its effectiveness, however, depends on the faithful preparation of eigenstates, which becomes challenging in degenerate and strongly entangled regimes. We study this problem using the transverse-field Ising model (TFIM) with periodic boundary conditions in one, two, and three dimensions, considering systems of up to 27 qubits. We employ different ansatzes: the hardware-efficient EfficientSU2 from Qiskit, the physics-inspired Hamiltonian Variational Ansatz (HVA) and HVA with symmetry breaking, and benchmark their performance using energy variance, entanglement entropy, spin correlations, and magnetization.
The Variational Quantum Eigensolver (VQE) is a leading hybrid quantum-classical algorithm for simulating many-body systems in the NISQ era. Its effectiveness, however, depends on the faithful preparation of eigenstates, which becomes challenging in degenerate and strongly entangled regimes. We study this problem using the transverse-field Ising model (TFIM) with periodic boundary conditions in one, two, and three dimensions, considering systems of up to 27 qubits. We employ different ansatzes: the hardware-efficient EfficientSU2 from Qiskit, the physics-inspired Hamiltonian Variational Ansatz (HVA) and HVA with symmetry breaking, and benchmark their performance using energy variance, entanglement entropy, spin correlations, and magnetization.
We explore the application of the Variational Quantum Eigensolver (VQE) to investigate the ground state properties, particularly the entanglement entropy, of the Transverse Field Ising Model (TFIM) in one, two, and three dimensions, considering systems of up to 27 spins. By benchmarking VQE results against exact diagonalization and analyzing the entanglement properties across different system sizes, we assess the algorithm's effectiveness in capturing faithful ground state. Using results of TFIM, we also investigate how VQE's expressivity and optimization influence the simulation of highly entangled quantum states. We employ different ansätze: the hardware-efficient EfficientSU2 from Qiskit, the physics-inspired Hamiltonian Variational ansätz (HVA) and HVA with symmetry breaking, and benchmark their performance using energy variance, entanglement entropy, spin correlations, and magnetization. We further discuss the implications for scaling these methods to larger quantum systems.
We simulate a long-range extended Ising model in one dimension using a hybrid quantum algorithm, namely Variational Quantum Eigensolver (VQE). In this quantum simulation, we investigate how quantum resources scale with system size and interaction strength. Three structure-aware ansatze incorporating nearest-neighbor (NN), next-nearest-neighbor (NNN), and next-next-nearest-neighbor (NNNN) entangling blocks are constructed by mimicking the string operators in the Hamiltonian. We show that energy fidelity alone is not a good indicator for finding the ground state of our model. To overcome this problem, we introduce an additional criterion based on pairwise logarithmic negativity as a more reliable way to find the actual ground state by the VQE. We find that the interaction range parameter alpha primarily governs the minimum number of ansatz layers required, rather than proximity to the quantum critical point. In particular, we show that in the non-local regime (alpha <= 1), the NNN and NNNN ansatze reduce the layer scaling rate by factors of 2.5x and 3.8x relative to NN in all phases, including the critical point. The total number of two-qubit gates required for reliable simulation grows quadratically with system size for all three ansatze. This is consistent with the theoretical prediction, as the number of non-local terms in the Hamiltonian also grows quadratically with the system size. In the local regime, however, the number of required two-qubit gates grows linearly with system size. In contrast, in the quasi-local regime, the required number of two-qubit gates for the quantum simulation is more subtle and depends on the phase of the Hamiltonian.
Estimating the ground-state energy of a quantum system is one of the most promising applications for quantum algorithms. Here we propose a variational quantum eigensolver (VQE) \emph{Ansatz} for finding ground state configuration interaction (CI) wavefunctions. We map CI for fermions to a quantum circuit using a subspace superposition, then apply diagonal Walsh operators to encode the wavefunction. The algorithm can be used to solve both full CI and selected CI wavefunctions, resuling in exact and near-exact solutions for electronic ground states. Both the subspace selection and wavefunction \emph{Ansatz} can be applied to any Hamiltonian that can be written in a qubit basis. The algorithm bypasses costly classical matrix diagonalizations, which is advantageous for large-scale applications. We demonstrate results for several molecules using quantum simulators and hardware.