Related papers: Entanglement Measures for Single- and Multi-Refere…
Entanglement, which is an essential characteristic of quantum mechanics, is the key element in potential practical quantum information and quantum communication systems. However, there are many open and fundamental questions (relating to…
Methods for estimating the correlation energy of molecules and other electronic systems are discussed based on the assumption that the correlation energy can be partitioned between atomic regions. In one method, the electron density is…
Uncertainty relations and quantum entanglement are pivotal concepts in quantum theory. Beyond their fundamental significance in shaping our understanding of the quantum world, they also underpin crucial applications in quantum information…
Quantum entanglement between an impurity spin and electrons nearby is a key property of the single-channel Kondo effects. We show that the entanglement can be detected by measuring electron conductance through a double quantum dot in an…
Quantum entanglement plays a key role in quantum computation and quantum information processing. It is of great significance to find efficient and experimentally friend separability criteria to detect entanglement. In this paper, we firstly…
Quantum entanglement, a fundamental aspect of quantum mechanics, has captured significant attention in the era of quantum information science. In multipartite quantum systems, entanglement plays a crucial role in facilitating various…
The detection and certification of entanglement and quantum correlations in materials is of fundamental and far-reaching importance, and has seen significant recent progress. It impacts both our understanding of the basic science of quantum…
Multi-configurational electronic structure theory delivers the most versatile approximations to many-electron wavefunctions, flexible enough to deal with all sorts of transformations, ranging from electronic excitations, to open-shell…
Quantum entanglement is one of the core features of quantum theory. While it is typically revealed by measurements along carefully chosen directions, here we review different methods based on so-called random or randomized measurements.…
Coulomb interactions that occur in electronic structure calculations are correlated by allowing basis function components of the interacting densities to polarize, thereby reducing the magnitude of the interaction. Exchange integrals of…
We present a significantly improved scheme of entanglement detection inspired by local uncertainty relations for a system consisting of two qubits. Developing the underlying idea of local uncertainty relations, namely correlations, we…
This thesis is a multidisciplinary contribution to the information theory of single-particle Coulomb systems in their relativistic and not relativistic description, to the theory of special functions of mathematical physics with the…
We show that the expectation value of squared correlations measured along random local directions is an identifier of quantum entanglement in pure states which can be directly experimentally assessed if two copies of the state were…
We search a simplest and minimal way to determine whether a given quantum system is entangled or separable. For this end, we propose binary correlation measurements in which restricted knowledge of only zero or non-zero correlations is…
We use the entanglement measure to study the evolution of quantum correlations in two-electron axially-symmetric parabolic quantum dots under a perpendicular magnetic field. We found that the entanglement indicates on the shape transition…
Entanglement is the central resource of quantum information processing and the precise characterization of entangled states is a crucial issue for the development of quantum technologies. This leads to the necessity of a precise,…
One of the most critical tasks at the very beginning of a quantum chemical investigation is the choice of either a multi- or single-configurational method. Naturally, many proposals exist to define a suitable diagnostic of the…
Multi-configurational approaches yield universal wave function parameterizations that can qualitatively well describe electronic structures along reaction pathways. For quantitative results, multi-reference perturbation theory is required…
We present two methods of calculating the spatial entanglement of an interacting electron system within the framework of density-functional theory. These methods are tested on the model system of Hooke's atom for which the spatial…
We theoretically investigate the quantum correlations (in terms of concurrence of indistinguishable electrons) in a prototype molecular system (hydrogen molecule). With the assistance of the standard approximations of the linear combination…