Related papers: Quantum embedding for molecules using auxiliary pa…
As quantum technology advances and the size of quantum computers grow, it becomes increasingly important to understand the extent of quality in the devices. As large-scale entanglement is a quantum resource crucial for achieving quantum…
Given a partition of a large system into an active quantum mechanical (QM) region and its environment, we present a simple way of embedding the QM region into an effective electrostatic potential representing the environment. This potential…
Pedagogical introduction into the problem of the mathematical description of the quantum correlation (entanglement) of composite quantum systems is represented. The notion is substantiated about the fact that the conventional algorithm of…
We consider one-dimensional, interacting spinless bosons on a tight-binding lattice described by the Bose-Hubbard model. Besides attractive on-site two-body interactions, we include a three-body repulsive term such that the competition…
We present a novel "linear combination of atomic orbitals"-type of approximation, enabling accurate electronic structure calculations for systems of up to 20 or more electronically coupled quantum dots. Using realistic single quantum dot…
The multipartite Greenberger-Horne-Zeilinger (GHZ) state is a paradigmatic example of a highly entangled multipartite states with distinct quantum features. However, the GHZ state is very sensitive to generic decoherence processes, where…
Ultra-cold atoms in optical lattices provide one of the most promising platforms for analog quantum simulations of complex quantum many-body systems. Large-size systems can now routinely be reached and are already used to probe a large…
Studying the physics of quantum correlations has gained new interest after it has become possible to measure entanglement entropies of few body systems in experiments with ultracold atomic gases. Apart from investigating trapped atom…
Predicting electronic energies, densities, and related chemical properties can facilitate the discovery of novel catalysts, medicines, and battery materials. By developing a physics-inspired equivariant neural network, we introduce a method…
Multitime quantum correlation functions are central objects in physical science, offering a direct link between experimental observables and the dynamics of an underlying model. While experiments such as 2D spectroscopy and quantum control…
We propose a variational quantum eigensolver suitable for exploring the phase structure of the multi-flavor Schwinger model in the presence of a chemical potential. The parametric ansatz circuit we design is capable of incorporating the…
Unitary Coupled Cluster (UCC) theory is a promising variational method for electronic structure calculations, especially for strongly correlated systems and quantum computers. However, its practical application is limited by the steep…
Applications of quantum simulation algorithms to obtain electronic energies of molecules on noisy intermediate-scale quantum (NISQ) devices require careful consideration of resources describing the complex electron correlation effects. In…
The high computational cost of ab-initio methods limits their application in predicting electronic properties at the device scale. Therefore, an efficient method is needed to map the atomic structure to the electronic structure quickly.…
The rapid progress in quantum-optical experiments especially in the field of cavity quantum electrodynamics and nanoplasmonics, allows to substantially modify and control chemical and physical properties of atoms, molecules and solids by…
Auger electron spectroscopy, a way of characterizing electronic structure through core-level decay processes, is widely used in materials characterization; however direct calculation from molecular geometry requires accurate treatment of…
In contrast to abstract statistical analyses in the literature, we present a concrete physical diagrammatic model of entanglement characterization and measure with its underlying discrete phase-space physics. This paper serves as a…
Atomic orbitals underpin our understanding of electronic structure, providing intuitive descriptions of bonding, charge transfer, magnetism, and correlation effects. Despite their utility, an atomic basis that is adaptable, strictly…
The Variational Quantum Eigensolver (VQE) is a method of choice to solve the electronic structure problem for molecules on near-term gate-based quantum computers. However, the circuit depth is expected to grow significantly with problem…
We combine classical heuristics with partial shadow tomography to enable efficient protocols for extracting information from correlated ab initio electronic systems encoded on quantum devices. By proposing the use of a correlation energy…