Related papers: Entanglement of electrons in interacting molecules

In quantum chemistry calculations, the correlation energy is defined as the difference between the Hartree-Fock limit energy and the exact solution of the nonrelativistic Schrodinger equation. With this definition, the electron correlation…

At present, there are many methods of quantum entanglement of particles with an electromagnetic field. Most methods have a low probability of quantum entanglement and not an exact theoretical apparatus based on an approximate solution of…

Entanglement is one of the most fascinating concepts of modern physics. In striking contrast to its abstract, mathematical foundation, its practical side is, however, remarkably underdeveloped. Even for systems of just two orbitals or sites…

Entanglement is nowadays considered as a key quantity for the understanding of correlations, transport properties, and phase transitions in composite quantum systems, and thus receives interest beyond the engineered applications in the…

Entanglement is a physical resource of a quantum system just like mass, charge or energy. Moreover it is an essential tool for many purposes of nowadays quantum information processing, e.g. quantum teleportation, quantum cryptography or…

Electron correlation effects are essential for an accurate ab initio description of molecules. A quantitative a priori knowledge of the single- or multi-reference nature of electronic structures as well as of the dominant contributions to…

We study the relation between quantum entanglement and electron correlation in quantum chemistry calculations. We prove that the Hartree-Fock (HF) wave function does not violate Bell's inequality, thus is not entangled while the…

Entanglement are the non-local correlations permitted by quantum theory, believed to play a fundamental role in a quantum computer. We have investigated these correlations in a number of theoretical models for condensed matter systems. Such…

The quantum entanglement entropy of the electrons in one-dimensional hydrogen molecule is quantified locally using an appropriate partitioning of the two-dimensional configuration space. Both the global and the local entanglement entropy…

Electronic quantum entanglement between the central chain and the two electrodes in an infinite one-dimensional two-probe device system is studied. The entanglement entropy is calculated employing the nonequilibrium Green's function method…

Quantum correlations between two neighbor atoms are studied. It is assumed that one atomic system comprises a single auto-ionizing level and the other atom does not contain any auto-ionizing level. The excitation of both atoms is achieved…

Entanglement entropy is a measure of quantum correlations between separate parts of a many-body system, which plays an important role in many areas of physics. Here we review recent work in which a relation between this quantity and the…

The complicated ways in which electrons interact in many-body systems such as molecules and materials have long been viewed through the lens of local electron correlation and associated correlation functions. However, quantum information…

The quantum mechanics formalism introduced new revolutionary concepts challenging our everyday perceptions. Arguably, quantum entanglement, which explains correlations that cannot be reproduced classically, is the most notable of them.…

Quantum information theory and quantum computing are theoritical basis of quantum computers. Thanks to entanglement, quantum mechanical systems are provisioned to realize many information processing problems faster than classical…

Entanglement entropy, which is a measure of quantum correlations between separate parts of a many-body system, has emerged recently as a fundamental quantity in broad areas of theoretical physics, from cosmology and field theory to…

Although the foundations of quantum and classical physics are much different, it is often difficult to pinpoint which features of a particular system are intrinsically "quantum". Perhapse, the most clear-cut distinction between "classical"…

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…

We consider the quantum entanglement of the electronic and vibrational degrees of freedom in molecules with a tendency towards double welled potentials using model coupled harmonic diabatic potential-energy surfaces. The von Neumann entropy…

Entanglement, a key resource of emerging quantum technologies, describes correlations between particles that defy classical physics. It has been studied extensively on various platforms, but has remained elusive in electron microscopy.…