相关论文: Quantum entanglement for two electrons in the exci…
In this work, we study the quantum entanglement for doubly excited resonance states in helium by using highly correlated Hylleraas type functions to represent such states of the two-electron system. The doubly-excited resonance states are…
We examine the entanglement in the ground states of helium and helium-like ions using an original Hylleraas expansion. The von Neumann and linear entropies of the reduced density matrix are accurately computed by performing the Schmidt…
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…
The quantum entanglement for the two electrons in three-body atomic systems such as the helium atom, the hydrogen negative ion and the positronium negative ion are investigated by employing highly correlated Hylleraas functions to represent…
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…
The electronic density \rho(r) in atoms, molecules and solids is, in general, a distribution that can be observed experimentally, containing spatial information projected from the total wave function. These density distributions can be…
In this work, we present an investigation on the spatial entanglement entropies in the helium atom by using highly correlated Hylleraas functions to represent the S-wave states. Singlet-spin 1sns 1Se states (with n = 1 to 6) and…
Entropic measures provide analytic tools to help us understand correlation in quantum systems. In our previous work, we calculated linear entropy and von Neumann entropy as entanglement measures for the ground state and lower lying excited…
Using a configuration-interaction variational method, we accurately compute the reduced, single-electron von Neumann entropy for several low-energy, singlet and triplet eigenstates of helium atom. We estimate the amount of electron-electron…
We explore ground-state entanglement properties of helium atom confined at the center of an impenetrable spherical cavity of varying radius by using explicitly correlated Hylleraas-type basis set. Results for the dependencies of the von…
We investigate the quantum entanglement content of quasi-particle excitations in extended many-body systems. We show that such excitations give an additive contribution to the bi-partite von Neumann and R\'enyi entanglement entropies that…
Quantum entanglement is a concept commonly used with reference to the existence of certain correlations in quantum systems that have no classical interpretation. It is a useful resource to enhance the mutual information of memory channels…
Treating Coulomb scattering of two free electrons in a stationary approach, we explore the momentum and spin entanglement created by the interaction. We show that a particular discretisation provides an estimate of the von Neumann entropy…
In this paper we investigate some entanglement properties for the Hydrogen molecule considered as a two interacting spin 1/2 (qubit) model. The entanglement related to the $H_{2}$ molecule is evaluated both using the von Neumann entropy and…
The generation and evolution of entanglement in quantum many-body systems is an active area of research that spans multiple fields, from quantum information science to the simulation of quantum many-body systems encountered in condensed…
The properties of the entanglement entropy (EE) of two particle excited states in a one-dimensional ring are studied. For a clean system we show analytically that as long as the momenta of the two particles are not close, the EE is twice…
Quantifying correlation and entanglement between molecular orbitals can elucidate the role of quantum effects in strongly correlated reaction processes. However, accurately storing the wavefunction for a classical computation of those…
The entanglement properties of two-electron atomic systems have been the subject of considerable research activity in recent years. These studies are still somewhat fragmentary, focusing on numerical computations on particular states of…
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…
The entanglement entropy of a pure quantum state of a bipartite system $A \cup B$ is defined as the von Neumann entropy of the reduced density matrix obtained by tracing over one of the two parts. Critical ground states of local…