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Wave functions based on electron-pair states provide inexpensive and reliable models to describe quantum many-body problems containing strongly-correlated electrons, given that broken-pair states have been appropriately accounted for by,…

Chemical Physics · Physics 2021-03-17 Artur Nowak , Ors Legeza , Katharina Boguslawski

We discuss and generalize multi-particle entanglement based on statistical correlations using Ursell-Mayer type of cluster coefficients. Cluster coefficients are used to distinguish different, independent entangled systems as well as those…

Quantum Physics · Physics 2009-11-15 Atul Kumar , Mangala Sunder Krishnan

A unified scheme for treating generalized superselection sectors is proposed on the basis of the notion of selection criteria to characterize states of relevance to each specific domain in quantum physics, ranging from the relativistic…

Mathematical Physics · Physics 2007-05-23 Izumi Ojima

We propose a universal decomposition of unitary maps over a tensorial power of C^2, introducing the key concept of "phase maps", and investigate how this decomposition can be used to implement unitary maps directly in the measurement-based…

Quantum Physics · Physics 2007-05-23 Niel de Beaudrap , Vincent Danos , Elham Kashefi

The variational quantum eigensolver (VQE) has emerged as one of the most promising near-term quantum algorithms that can be used to simulate many-body systems such as molecular electronic structures. Serving as an attractive ansatz in the…

An efficient approach to calculate approximate pure-state and transition reduced density matrices in the framework of the multireference relativistic Fock-space coupled cluster (FS CC) theory is proposed. The method is based on the…

Computational Physics · Physics 2025-06-12 Alexander V. Oleynichenko , Andrei Zaitsevskii , Leonid V. Skripnikov , Ephraim Eliav

The earlier treatments of Lorentz covariant harmonic oscillator have brought to light various difficulties, such as reconciling Lorentz symmetry with the full Fock space, and divergence issues with their functional representations. We…

Quantum Physics · Physics 2020-03-20 Suzana Bedić , Otto C. W. Kong

We demonstrate how structured decompositions of unitary operators can be employed to derive control schemes for finite-level quantum systems that require only sequences of simple control pulses such as square wave pulses with finite rise…

Quantum Physics · Physics 2009-11-07 S. G. Schirmer , A. D. Greentree , V. Ramakrishna , H. Rabitz

No-cloning theorem forbids perfect cloning of an unknown quantum state. A universal quantum cloning machine (UQCM), capable of producing two copies of any input qubit with the optimal fidelity, is of fundamental interest and has…

Atomic cluster expansion (ACE) methods provide a systematic way to describe particle local environments of arbitrary body order. For practical applications it is often required that the basis of cluster functions be symmetrized with respect…

Materials Science · Physics 2024-02-27 James M. Goff , Charles Sievers , Mitchell A. Wood , Aidan P. Thompson

Unitary transformations and density matrices are central objects in quantum physics and various tasks require to introduce them in a parameterized form. In the present article we present a parameterization of the unitary group…

Quantum Physics · Physics 2010-08-18 Christoph Spengler , Marcus Huber , Beatrix C. Hiesmayr

We introduce a mean-field and perturbative approach, based on clusters, to describe the ground state of fermionic strongly-correlated systems. In cluster mean-field, the ground state wavefunction is written as a simple tensor product over…

Strongly Correlated Electrons · Physics 2016-04-05 Carlos A. Jiménez-Hoyos , Gustavo E. Scuseria

Fault-tolerant quantum computation (FTQC) is essential to implement quantum algorithms in a noise-resilient way, and thus to enjoy advantages of quantum computers even with presence of noise. In FTQC, a quantum circuit is decomposed into…

Quantum Physics · Physics 2025-07-23 Kohdai Kuroiwa , Yuya O. Nakagawa

We derive exact closed-form expressions for the matrix exponential of the anti-Hermitian spin-adapted singlet double excitation fermionic operators. These expressions enable the efficient implementation of such operators within unitary…

A size-extensive, converging, black-box, ab initio coupled-cluster ($\Delta$CC) ansatz is introduced that computes the energies and wave functions of stationary states from any degenerate or nondegenerate Slater-determinant references with…

Chemical Physics · Physics 2026-05-15 So Hirata

Atom-like emitters in solids are promising platforms for quantum sensing and information processing, but inhomogeneities in the emitter fine structure complicate quantum control. We present a framework that leverages this diversity to…

Quantum Physics · Physics 2025-09-04 Pratyush Anand , Louis Follet , Odiel Hooybergs , Dirk R. Englund

We investigate the convergence of coupled-cluster correlation energies and related quantities with respect to the employed basis set size for the uniform electron gas to gain a better understanding of the basis set incompleteness error. To…

Materials Science · Physics 2024-02-27 Nikolaos Masios , Felix Hummel , Andreas Grüneis , Andreas Irmler

Density functional theory (DFT) provides convenient electronic structure methods for the study of molecular systems and materials. Regular Kohn-Sham DFT calculations rely on unitary transformations to determine the ground-state electronic…

Chemical Physics · Physics 2022-10-10 Greta Jacobson , Juan M. Marmolejo-Tejada , Martín A. Mosquera

Measurement-based quantum computation, an alternative paradigm for quantum information processing, uses simple measurements on qubits prepared in cluster states, a class of multiparty entangled states with useful properties. Here we propose…

Quantum Physics · Physics 2019-05-01 Mikhail Mamaev , Rainer Blatt , Jun Ye , Ana Maria Rey

Quantum entanglement marks a definitive feature of topological states. However, the entanglement spectrum remains insufficiently explored for topological states without a bulk energy gap. Using a combination of field theory and numerical…

Strongly Correlated Electrons · Physics 2024-07-16 Xue-Jia Yu , Sheng Yang , Hai-Qing Lin , Shao-Kai Jian