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We present explicit expressions for the central piece of a variational method developed by Shi et al. which extends variational wave functions that are efficiently computable on classical computers beyond mean-field to generalized Gaussian…

Quantum Physics · Physics 2021-09-23 Michael P. Kaicher , Simon B. Jäger , Frank K. Wilhelm

The most advanced techniques using fault-tolerant quantum computers to estimate the ground-state energy of a chemical Hamiltonian involve compression of the Coulomb operator through tensor factorizations, enabling efficient block-encodings…

The accurate estimation of quantum observables is a critical task in science. With progress on the hardware, measuring a quantum system will become increasingly demanding, particularly for variational protocols that require extensive…

Adaptive variational algorithms suffer from prohibitively high measurement costs during the generator selection step, since energy gradients must be estimated for a large operator pool. This scaling bottleneck limits their applicability to…

Quantum Physics · Physics 2025-09-19 Rick Huang , Artur F. Izmaylov

Reducing the number of measurements required to estimate the expectation value of an observable is crucial for the variational quantum eigensolver to become competitive with state-of-the-art classical algorithms. To measure complicated…

Quantum Physics · Physics 2023-01-09 Seonghoon Choi , Tzu-Ching Yen , Artur F. Izmaylov

We study the problems of state preparation, ground state preparation and quantum state preparation. We propose an analytic approach to a stochastic quantum algorithm which prepares the ground state for $n$-qubit Hamiltonian that is…

Quantum Physics · Physics 2025-12-02 Taehee Ko , Sungbin Lim

Producing quantum states at random has become increasingly important in modern quantum science, with applications both theoretical and practical. In particular, ensembles of such randomly-distributed, but pure, quantum states underly our…

Understanding the energetic efficiency of quantum computers is essential for assessing their scalability and for determining whether quantum technologies can outperform classical computation beyond runtime alone. In this work, we analyze…

In this article we propose a method to estimate with high accuracy pure quantum states of a single qudit. Our method is based on the minimization of the squared error between the complex probability amplitudes of the unknown state and its…

Quantum Physics · Physics 2021-07-14 A. Rojas , L. Pereira , S. Niklitschek , A. Delgado

Analog models of quantum information processing, such as adiabatic quantum computation and analog quantum simulation, require the ability to subject a system to precisely specified Hamiltonians. Unfortunately, the hardware used to implement…

Quantum Physics · Physics 2014-02-25 Kevin C. Young , Robin Blume-Kohout , Daniel A. Lidar

Obtaining the expectation value of an observable on a quantum computer is a crucial step in the variational quantum algorithms. For complicated observables such as molecular electronic Hamiltonians, a common strategy is to present the…

Quantum Physics · Physics 2022-04-20 Tzu-Ching Yen , Aadithya Ganeshram , Artur F. Izmaylov

Simulation of quantum chemistry is expected to be a principal application of quantum computing. In quantum simulation, a complicated Hamiltonian describing the dynamics of a quantum system is decomposed into its constituent terms, where the…

Quantum Physics · Physics 2020-03-04 Yingkai Ouyang , David R. White , Earl T. Campbell

Quantum measurements are our eyes to the quantum systems consisting of a multitude of microscopic degrees of freedom. However, the intrinsic uncertainty of quantum measurements and the exponentially large Hilbert space pose natural barriers…

Strongly Correlated Electrons · Physics 2023-04-07 Jia-Bao Wang , Yi Zhang

Classical simulation of many-body quantum systems remains economical only when wavefunction amplitudes stay localized in the working basis. Fixed-basis sparse-state simulators scale memory as $\mathcal{O}(k)$ by keeping the largest…

Quantum Physics · Physics 2026-05-27 Ch Nihar Kartikeya , Anjana K , Bijita Sarma , Sangkha Borah

Ensuring a satisfactory statistical convergence of anharmonic thermodynamic properties requires sampling of many atomic configurations, however the methods to obtain those necessarily produce correlated samples, thereby reducing the…

Statistical Mechanics · Physics 2022-06-07 Erki Metsanurk

Variational algorithms are promising candidates to be implemented on near-term quantum computers. The variational quantum eigensolver (VQE) is a prominent example, where a parametrized trial state of the quantum mechanical wave function is…

We consider Hamiltonian simulation using the first order Lie-Trotter product formula under the assumption that the initial state has a high overlap with an energy eigenstate, or a collection of eigenstates in a narrow energy band. This…

Quantum Physics · Physics 2021-02-26 Changhao Yi , Elizabeth Crosson

Energy spectroscopy is a powerful tool with diverse applications across various disciplines. The advent of programmable digital quantum simulators opens new possibilities for conducting spectroscopy on various models using a single device.…

We consider how to characterize the dynamics of a quantum system from a restricted set of initial states and measurements using Bayesian analysis. Previous work has shown that Hamiltonian systems can be well estimated from analysis of noisy…

Quantum Physics · Physics 2014-03-04 S. G. Schirmer , D. K. L. Oi

Multipartite quantum states saturating the Heisenberg limit of sensitivity typically require full-body correlators to be prepared. On the other hand, experimentally practical Hamiltonians often involve few-body correlators only. Here, we…

Quantum Physics · Physics 2025-12-03 Majid Hassani , Mengyao Hu , Guillem Müller-Rigat , Matteo Fadel , Jordi Tura