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Quantum computers promise to revolutionise electronic simulations by overcoming the exponential scaling of many-electron problems. While electronic wave functions can be represented using a product of fermionic unitary operators, shallow…

Quantum Physics · Physics 2022-07-04 Hugh G. A. Burton , Daniel Marti-Dafcik , David P. Tew , David J. Wales

We provide an integration of the universal, perturbative explicitly correlated [2]$_\text{R12}$-correction in the context of the Variational Quantum Eigensolver (VQE). This approach is able to increase the accuracy of the underlying…

Quantum Physics · Physics 2022-07-08 Philipp Schleich , Jakob S. Kottmann , Alán Aspuru-Guzik

As a new approach to efficiently describe correlation effects in the relativistic quantum world we propose to consider reduced density matrix functional theory, where the key quantity is the first-order reduced density matrix (1-RDM). In…

Chemical Physics · Physics 2022-05-05 M. Rodríguez-Mayorga , K. J. H. Giesbertz , L. Visscher

Quantum computers, using efficient Hamiltonian evolution routines, have the potential to simulate Green's functions of classically-intractable quantum systems. However, the decoherence errors of near-term quantum processors prohibit large…

Quantum Physics · Physics 2023-12-20 Diogo Cruz , Duarte Magano

We generalize the spectral sum rule preserving density matrix numerical renormalization group (DM-NRG) method in such a way that it can make use of an arbitrary number of not necessarily Abelian, local symmetries present in the quantum…

Mesoscale and Nanoscale Physics · Physics 2009-11-13 A. I. Toth , C. P. Moca , O. Legeza , G. Zarand

Using quantum measurements to extract information from states is a matter of routine in quantum science and technologies. A recent work [Phys. Rev. Lett. 133, 040202 (2024)] reported the finding that the symmetric structures of a state can…

Quantum Physics · Physics 2025-02-18 Zhao-Yi Zhou , Da-Jian Zhang

A hybrid approach to nonequilibrium dynamics of quantum impurity systems is presented. The numerical renormalization group serves as a means to generate a suitable low-energy Hamiltonian, allowing for an accurate evaluation of the real-time…

Strongly Correlated Electrons · Physics 2013-03-20 Fabian Guettge , Frithjof B. Anders , Ulrich Schollwoeck , Eitan Eidelstein , Avraham Schiller

A new method of preparing the pseudo-pure state of a spin system for quantum computation in liquid nuclear magnetic resonance (NMR) was put forward and demonstrated experimentally. Applying appropriately connected line-selective pulses…

Quantum Physics · Physics 2019-08-17 Xinhua Peng , Xiwen Zhu , Ximing Fang , Mang Feng , Keli Gao , Xiaodong Yang , Maili Liu

Quantum state tomography, the ability to deduce the density matrix of a quantum system from measured data, is of fundamental importance for the verification of present and future quantum devices. It has been realized in systems with few…

Quantum Physics · Physics 2010-02-22 M. Cramer , M. B. Plenio

We present an efficient implementation of the Density Matrix Renormalization Group (DMRG) algorithm that includes an optimal ordering of the proton and neutron orbitals and an efficient expansion of the active space utilizing various…

Nuclear Theory · Physics 2015-11-18 Ö. Legeza , L. Veis , A. Poves , J. Dukelsky

Quantum phase transitions in Rydberg atom arrays present significant opportunities for studying many-body physics, yet distinguishing between different ordered phases without explicit order parameters remains challenging. We present a…

Quantum Physics · Physics 2025-10-28 Hemish Ahuja , Samradh Bhardwaj , Kirti Dhir , Roman Bagdasarian , Ziwoong Jang

Quantum state tomography is a technique in quantum information science used to reconstruct the density matrix of an unknown quantum state, providing complete information about the quantum state. It is of significant importance in fields…

Quantum Physics · Physics 2025-07-23 Wenlong Zhao , Da Zhang , Huili Zhang , Haifeng Yu , Zhang-qi Yin

Kohn-Sham density functional theory (DFT) has long struggled with the accurate description of strongly correlated and open shell systems and improvements have been minor even in the newest hybrid functionals. In this Letter we treat the…

Chemical Physics · Physics 2021-04-01 Danny Gibney , Jan-Niklas Boyn , David A. Mazziotti

Quantum state tomography, the ability to deduce the state of a quantum system from measured data, is the gold standard for verification and benchmarking of quantum devices. It has been realized in systems with few components, but for larger…

Locally Purified Density Operators (LPDOs) are state-of-the-art tensor network ansatze candidates that efficiently represent mixed quantum states at scale. However, given their non-uniqueness, their representational complexity is generally…

Quantum Physics · Physics 2025-12-10 Amit Jamadagni , Eugene Dumitrescu

Randomized smoothing is currently the state-of-the-art method that provides certified robustness for deep neural networks. However, due to its excessively conservative nature, this method of incomplete verification often cannot achieve an…

Machine Learning · Computer Science 2023-12-29 Bo-Han Kung , Shang-Tse Chen

Achieving photorealistic rendering of real-world scenes poses a significant challenge with diverse applications, including mixed reality and virtual reality. Neural networks, extensively explored in solving differential equations, have…

Computer Vision and Pattern Recognition · Computer Science 2023-11-09 YuanFu Yang , Min Sun

We propose a high efficiency tomographic scheme to reconstruct an unknown quantum state of the qubits by using a series of quantum nondemolition (QND) measurements. The proposed QND measurements of the qubits are implemented by probing the…

Quantum Physics · Physics 2015-05-20 J. S. Huang , L. F. Wei , C. H. Oh

Due to the high flexibility and remarkable performance, low-rank approximation methods has been widely studied for color image denoising. However, those methods mostly ignore either the cross-channel difference or the spatial variation of…

Image and Video Processing · Electrical Eng. & Systems 2024-03-05 Yiwen Shan , Dong Hu , Zhi Wang

Quantum detector tomography (QDT) is a fundamental technique for calibrating quantum devices and performing quantum engineering tasks. In this paper, we utilize regularization to improve the QDT accuracy whenever the probe states are…