Related papers: Orbital entanglement in bond-formation processes
This thesis focuses on the experimental creation and detection of a variety of quantum correlations using nuclear magnetic resonance hardware. Quantum entanglement, being most common and counter-intuitive, is one of the main type considered…
We introduce detector-level entanglement, a unified entanglement concept for identical particles that takes into account the possible deletion of many-particle which-way information through the detection process. The concept implies a…
We demonstrate entanglement between the orbital angular momentum (OAM) of two photoelectrons ionized via the strongly correlated process of non-sequential double ionization (NSDI). Due to the quantization of OAM, this entanglement is easily…
Accurately treating strong electron correlation in quantum chemistry typically requires multireference wave-function methods with steep computational scaling. The recently proposed i-DMFT method promises near configuration-interaction…
Wavefunctions constructed from electron-pair states can accurately model strong electron correlation effects and are promising approaches especially for larger many-body systems. In this article, we analyze the nature and the type of…
Differential cross sections are computed for the title polar molecule using static interaction, exchange forces and correlation-polarisation effects as described in detail in the main text. The dipole effect is also reported via the dipole…
Non-classical features like interference is already being harnessed to control the output of chemical reactions. However quantum entanglement which is an equally enigmatic many-body quantum correlation can also be used as a powerful…
The influence of spin-orbit interaction on chemical bonds in elemental solids and homonuclear dimers is analyzed by means of density-functional-theory calculations. Employing highly precise all-electron full-potential methodology, our…
Electronic correlation is a complex many-body effect and the correlation energy depends on the specific electronic structure and spatial distribution of electrons in each atom and molecule. Although the total correlation energy in an atom…
We investigate the effects of inhomogeneities on spin entanglement in many-electron systems from an ab-initio approach. The key quantity in our approach is the local spin entanglement length, which is derived from the local concurrence of…
We investigate entanglement in a linear chain of $N$ polar molecules coupled by dipole interaction. In our model, nearest neighbour interaction predominate, and we compute entanglement with the help of a two-party correlation entanglement…
We present an efficient approach to the electron correlation problem that is well-suited for strongly interacting many-body systems, but requires only mean-field-like computational cost. %which is based on orbital optimization of electron…
Using a method of characterizing entanglement in the framework of quantum field theory, we investigate the optical generation and quantitative characterizations of quantum entanglement in an electron-hole system, in presence of spin-orbit…
Entanglement engineering plays a central role in quantum-enhanced technologies, with potential physical platforms that outperform their classical counterparts. However, free electrons remain largely unexplored despite their great capacity…
The production of orbitally entangled electrons in quantum-chaotic dots is investigated from a statistical point of view. The degree of entanglement is quantified through the concurrence and the entanglement of formation. We calculate the…
Motivated by the growing interest in accessing the spin structure of multi-boson processes and in measuring quantum entanglement at high energies, we study polarisation and spin-correlation coefficients in di-boson systems. We show that…
In this paper, we propose a generic and systematic approach for study of the electronic structure for atoms or molecules. In particular, we address the issue of single particle states, or orbitals, which should be one of the most important…
The quantum correlations between a qubit and its environment are described quantitatively in terms of interatomic distance. Specifically, considering a realistic system of two two-level atoms and taking into account the dipole-dipole…
Quantum correlations represent a fundamental tool for studies ranging from basic science to quantum technologies. Different non-classical correlations have been identified and studied, as entanglement and discord. In view of future…
A time-dependent approach is used to explore inelastic effects during electron transport through few-level systems. We study a tight-binding chain with one and two sites connected to vibrations. This simple but transparent model gives…