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Extracting the Hamiltonian of interacting quantum-information processing systems is a keystone problem in the realization of complex phenomena and large-scale quantum computers. The remarkable growth of the field increasingly requires…

One approach for solving interacting many-fermion systems is the configuration-interaction method, also sometimes called the interacting shell model, where one finds eigenvalues of the Hamiltonian in a many-body basis of Slater determinants…

Nuclear Theory · Physics 2015-06-15 Calvin W. Johnson , W. Erich Ormand , Plamen G. Krastev

Unitary cluster expansions of the electronic wavefunction have recently gained much interest because of their use in conjunction with quantum algorithms. In this contribution, we investigate some aspects of an ansatz using generalized…

Chemical Physics · Physics 2022-10-12 Andreas Köhn , Jeppe Olsen

Variational quantum algorithms are promising applications of noisy intermediate-scale quantum (NISQ) computers. These algorithms consist of a number of separate prepare-and-measure experiments that estimate terms in a Hamiltonian. The…

Quantum Physics · Physics 2020-06-25 Andrew Zhao , Andrew Tranter , William M. Kirby , Shu Fay Ung , Akimasa Miyake , Peter Love

Fault tolerant quantum simulation via the phase estimation algorithm and qubitization has a T-gate count that scales proportionally to the 1-norm of the Hamiltonian, the cost of block encoding the Hamiltonian, and inversely proportionally…

Quantum Physics · Physics 2025-04-14 Hirsh Kamakari , Emil Zak

We introduce unitary quantum phase operators for material particles. We carry out a model study on quantum phases of interacting bosons in a symmetric double-well potential in terms of unitary and commonly-used non-unitary phase operators…

Quantum Physics · Physics 2013-01-15 Biswajit Das , Bitan Ghosal , Subhasish Dutta Gupta , Bimalendu Deb

Using some modification of the standard fermion technique we derive factorized formula for spin operator matrix elements (form-factors) between general eigenstates of the Hamiltonian of quantum Ising chain in a transverse field of finite…

Statistical Mechanics · Physics 2011-12-05 N. Iorgov , V. Shadura , Yu. Tykhyy

Quantum computing promises transformative impacts in simulating Hamiltonian dynamics, essential for studying physical systems inaccessible by classical computing. However, existing compilation techniques for Hamiltonian simulation, in…

Quantum computers are the ideal platform for quantum simulations. Given enough coherent operations and qubits, such machines can be leveraged to simulate strongly correlated materials, where intricate quantum effects give rise to…

Quantum Physics · Physics 2016-12-14 Pierre-Luc Dallaire-Demers , Frank K. Wilhelm

Factorization of quantum mechanical Hamiltonians has been a useful technique for some time. This procedure has been given an elegant description by supersymmetric quantum mechanics, and the subject has become well-developed. We demonstrate…

Quantum Physics · Physics 2010-11-09 Micheal S. Berger , Nail S. Ussembayev

Quantum computers offer the potential to efficiently simulate the dynamics of quantum systems, a task whose difficulty scales exponentially with system size on classical devices. To assess the potential for near-term quantum computers to…

Quantum Physics · Physics 2023-07-06 Nathan M. Myers , Ryan Scott , Kwon Park , Vito W. Scarola

We propose a method for the efficient quantum simulation of fermionic systems with superconducting circuits. It consists in the suitable use of Jordan-Wigner mapping, Trotter decomposition, and multiqubit gates, be with the use of a quantum…

Quantum Physics · Physics 2015-04-01 U. Las Heras , L. García-Álvarez , A. Mezzacapo , E. Solano , L. Lamata

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…

We show in detail how the Jordan-Wigner transformation can be used to simulate any fermionic many-body Hamiltonian on a quantum computer. We develop an algorithm based on appropriate qubit gates that takes a general fermionic Hamiltonian,…

Quantum Physics · Physics 2007-05-23 E. Ovrum , M. Hjorth-Jensen

A key task in quantum computation is the application of a sequence of gates implementing a specific unitary operation. However, the decomposition of an arbitrary unitary operation into simpler quantum gates is a nontrivial problem. Here we…

Quantum Physics · Physics 2016-03-23 Swathi S. Hegde , K. R. Koteswara Rao , T. S. Mahesh

Unknown unitary inversion is a fundamental primitive in quantum computing and physics. Although recent work has demonstrated that quantum algorithms can invert arbitrary unknown unitaries without accessing their classical descriptions,…

Quantum Physics · Physics 2025-06-26 Yin Mo , Tengxiang Lin , Xin Wang

While general quantum many-body systems require exponential resources to be simulated on a classical computer, systems of non-interacting fermions can be simulated exactly using polynomially scaling resources. Such systems may be of…

Strongly Correlated Electrons · Physics 2019-12-18 Norbert Schuch , Bela Bauer

New generations of ultracold-atom experiments are continually raising the demand for efficient solutions to optimal control problems. Here, we apply Bayesian optimization to improve a state-preparation protocol recently implemented in an…

Quantum Gases · Physics 2024-07-03 Tizian Blatz , Joyce Kwan , Julian Léonard , Annabelle Bohrdt

In classical computational chemistry, the coupled-cluster ansatz is one of the most commonly used $ab~initio$ methods, which is critically limited by its non-unitary nature. The unitary modification as an ideal solution to the problem is,…

Quantum Physics · Physics 2017-03-01 Yangchao Shen , Xiang Zhang , Shuaining Zhang , Jing-Ning Zhang , Man-Hong Yung , Kihwan Kim

The quantum simulation of quantum chemistry is a promising application of quantum computers. However, for N molecular orbitals, the $\mathcal{O}(N^4)$ gate complexity of performing Hamiltonian and unitary Coupled Cluster Trotter steps makes…

Computational Physics · Physics 2022-05-18 Mario Motta , Erika Ye , Jarrod R. McClean , Zhendong Li , Austin J. Minnich , Ryan Babbush , Garnet Kin-Lic Chan