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Recently a new class of quantum algorithms that are based on the quantum computation of the connected moment expansion has been reported to find the ground and excited state energies. In particular, the Peeters-Devreese-Soldatov (PDS)…

Quantum Physics · Physics 2021-06-23 Bo Peng , Karol Kowalski

While quantum computing algorithms have been widely applied for electronic structure calculations, applications to molecular dynamics remain scarce. Complex and varied landscapes of molecular potential energy surfaces give rise to…

Quantum Physics · Physics 2026-04-02 K. Asnaashari , D. Bondarenko , R. V. Krems

We introduce a scalable variational method for simulating the dynamics of interacting open quantum bosonic systems deep in the quantum regime. The method is based on a multi-dimensional Wigner phase-space representation and employs a…

Quantum Physics · Physics 2025-07-21 Jacopo Tosca , Francesco Carnazza , Luca Giacomelli , Cristiano Ciuti

By design, the variational quantum eigensolver (VQE) strives to recover the lowest-energy eigenvalue of a given Hamiltonian by preparing quantum states guided by the variational principle. In practice, the prepared quantum state is…

Quantum Physics · Physics 2021-06-29 Daniel Claudino , Jerimiah Wright , Alexander J. McCaskey , Travis S. Humble

Recently, an {\it algebraic-dynamical theory} (ADT) for strongly interacting many-body quantum Hamiltonians in W. Ding, arXiv: 2202.12082 (2022). By introducing the complete operator basis set, ADT proposes a generic framework for…

Strongly Correlated Electrons · Physics 2022-08-09 Wenxin Ding , Chuanru Dai , Zhengfei Hu

In this thesis the variational optimisation of the density matrix is discussed as a method in many-body quantum mechanics. This is a relatively unknown technique in which one tries to obtain the two-particle reduced density matrix directly…

Quantum Physics · Physics 2012-03-27 Brecht Verstichel

Recently, an adaptive variational algorithm termed Adaptive Derivative-Assembled Pseudo-Trotter ansatz Variational Quantum Eigensolver (ADAPT-VQE) has been proposed by Grimsley et al. (Nat. Commun. 10, 3007) while the number of measurements…

Quantum Physics · Physics 2021-07-28 Jie Liu , Zhenyu Li , Jinlong Yang

The advantage of using a Discrete Variable Representation (DVR) is that the Hamiltonian of two interacting particles can be constructed in a very simple form. However the DVR Hamiltonian is approximate and, as a consequence, the results…

Atomic and Molecular Clusters · Physics 2016-09-08 M. Lombardi , P. Barletta , A. Kievsky

We present a time-dependent variational approach with the multiple Davydov $D_2$ trial state to simulate the dynamics of light-matter systems when the field is in a coherent state with an arbitrary finite mean photon number. The variational…

Quantum Physics · Physics 2024-07-18 Yiying Yan , Zhiguo Lü , JunYan Luo

We develop a variational framework for addressing two-dimensional non-integrable quantum field theories through the exact structure of their integrable counterparts. Concentrating on the $\varphi^4$ Landau-Ginzburg model, we use the…

High Energy Physics - Theory · Physics 2025-12-19 Arthur Hutsalyuk , Márton Lájer , Giuseppe Mussardo , Andrea Stampiggi

We propose a novel variational ansatz for the ground-state preparation of the $\mathbb{Z}_2$ lattice gauge theory (LGT) in quantum simulators. It combines dissipative and unitary operations in a completely deterministic scheme with a…

Quantum Physics · Physics 2024-08-28 Jesús Cobos , David F. Locher , Alejandro Bermudez , Markus Müller , Enrique Rico

Reliable preparation of many-body ground states is an essential task in quantum computing, with applications spanning areas from chemistry and materials modeling to quantum optimization and benchmarking. A variety of approaches have been…

Quantum Physics · Physics 2026-02-09 Ricard Puig , Berta Casas , Alba Cervera-Lierta , Zoë Holmes , Adrián Pérez-Salinas

We examine the performance of the density matrix embedding theory (DMET) recently proposed in [G. Knizia and G. K.-L. Chan, Phys. Rev. Lett. 109, 186404 (2012)]. The core of this method is to find a proper one-body potential that generates…

Strongly Correlated Electrons · Physics 2020-12-07 Masataka Kawano , Chisa Hotta

We propose a general-purpose, self-adaptive approach to construct variational wavefunction ans\"atze for highly accurate quantum dynamics simulations based on McLachlan's variational principle. The key idea is to dynamically expand the…

Dynamical Mean Field Theory (DMFT) is one of the powerful computational approaches to study electron correlation effects in solid-state materials and molecules. Its practical applicability is, however, limited by the quantity of numerical…

Strongly Correlated Electrons · Physics 2024-12-23 Jannis Ehrlich , Daniel Urban , Christian Elsässer

Artificial neural networks have been recently introduced as a general ansatz to compactly represent many- body wave functions. In conjunction with Variational Monte Carlo, this ansatz has been applied to find Hamil- tonian ground states and…

Strongly Correlated Electrons · Physics 2018-10-24 Kenny Choo , Giuseppe Carleo , Nicolas Regnault , Titus Neupert

The variational reduced density matrix theory has been recently applied with great success to models within the truncated doubly-occupied configuration interaction space, which corresponds to the seniority zero subspace. Conservation of the…

Strongly Correlated Electrons · Physics 2018-07-26 A. Rubio-Garcia , D. R. Alcoba , P. Capuzzi , J. Dukelsky

The usual position-momentum commutation relation plays a fundamental role in the mathematical description of continuous-variable quantum systems. In the case of a qudit described by a Hilbert space of a high enough dimension, there exists a…

Quantum Physics · Physics 2026-02-05 Nicolae Cotfas

V-T theory is constructed in the many-body Hamiltonian formulation, and differs at the foundation from current liquid dynamics theories. In V-T theory the liquid atomic motion consists of two contributions, normal mode vibrations in a…

Statistical Mechanics · Physics 2016-05-04 Duane C. Wallace , Giulia De Lorenzi-Venneri , Eric D. Chisolm

The variational quantum eigensolver (VQE) and its variants, which is a method for finding eigenstates and eigenenergies of a given Hamiltonian, are appealing applications of near-term quantum computers. Although the eigenenergies are…

Quantum Physics · Physics 2020-02-12 Kosuke Mitarai , Yuya O. Nakagawa , Wataru Mizukami