Related papers: Orbital entanglement in bond-formation processes
We introduce two forms of correlations on two $d$-level (qudit) systems for entanglement detection. The correlations can be measured via experimentally tractable two local measurement settings and their separable bounds are determined by…
Quantum tunneling events occurring through biochemical bonds are capable to generate quantum correlations between bonded systems, which in turn makes the conventional second law of thermodynamics approach insufficient to investigate these…
Analytic first and second derivatives of the energy are developed for the fragment molecular orbital method interfaced with molecular mechanics in the electrostatic embedding scheme at the level of Hartree-Fock and density functional…
We theoretically evaluate establishing remote entanglement between distinguishable matter qubits through interference and detection of two emitted photons. The fidelity of the entanglement operation is analyzed as a function of the temporal…
We present a scheme for creating and measuring entanglement between two double quantum dot charge qubits in a transport set-up in which voltage pulses can modify system parameters. Detection of entanglement is performed via the construction…
We investigate electron correlation effects in internuclear-distance-dependent enhanced ionization of $\mathrm{H}_2$, $\mathrm{LiH}$, and $\mathrm{HF}$ molecules by intense near-infrared laser pulses using a 3D description of the systems…
Electronic excitations and ionisations produced by electron impact are key processes in the radiation-induced damage mechanisms in materials of biological relevance, underlying important medical and technological applications, including…
The screened electron-electron interaction in a multi-band electron system is calculated within the random phase approximation and in the tight-binding representation. The obtained dielectric matrix contains, beside the usual site-site…
Quantum correlations of identical particles are important for quantum-enhanced technologies. The recently introduced non-standard approach to treat identical particles [G. Compagno et al., Phil. Trans. R. Soc. A 376, 20170317 (2018)] is…
We present an efficient \textit{ab initio} method for calculating the electronic structure and total energy of strongly correlated electron systems. The method extends the traditional Gutzwiller approximation for one-particle operators to…
A method for increasing the accuracy of configuration interaction (CI) calculations of molecules and other electronic systems is proposed. The energy defect of a given calculation is associated with the electron pair origin of…
Conceiving a molecule as composed of smaller molecular fragments, or subunits, is one of the pillars of the chemical and physical sciences, and leads to productive methods in quantum chemistry. Using a fragmentation scheme, efficient…
We propose a scheme for dynamically creating orbitally entangled electron-hole pairs through a time-dependent variation of the electrical potential in a mesoscopic conductor. The time-dependent potential generates a superposition of…
Two electron interference experiments which are far from each other are considered. They are irradiated with correlated nonclassical electromagnetic fields, produced by the same source. The phase factors are in this case operators, and…
Orbital entropies, pair entropies, and mutual information have become popular tools for analysis of strongly correlated wave functions. They can quantitatively measure how strongly an orbital (e.g. from the DMRG active space) participates…
Two particle correlations are studied in the reaction plane of peripheral relativistic heavy ion reactions where the initial state has substantial angular momentum. The earlier predicted rotation effect and Kelvin Helmholtz Instability,…
The way atoms attach to each other defines the function(s), e.g., mechanical, optical, electronic, of a given material. The nature of the chemical bond is, therefore, one of the most fundamental issues in materials. Both ionic interactions,…
A collision of Bose-Einstein condensates is a useful source of single nonclassically correlated pairs of atoms. Here, we consider elastic scattering of atoms from elongated clouds taking into account an effective, finite duration of the…
The narrowing of electron and ion wave packets in the process of photoionization is investigated, with the electron-ion recoil fully taken into account. Packet localization of this type is directly related to entanglement in the joint…
In this work, atomic calculations were performed within the local-density and generalized-gradient approximations of exchange and correlation density functionals within density-functional theory to provide accurate periodic trends of first…