Related papers: Measuring Correlation and Entanglement between Mol…
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…
In order to quantify entanglement between two parts of a quantum system, one of the most used estimator is the Von Neumann entropy. Unfortunately, computing this quantity for large interacting quantum spin systems remains an open issue.…
Here a finite-Lieb-lattice quantum computing circuit consisting of spin-1/2 quantum bits (qubits) and triplet couplers is designed. Important gradient - quantum entanglement - is analysed. This type of design could be realised in a vast…
A recent development in quantum chemistry has established the quantum mutual information between orbitals as a major descriptor of electronic structure. This has already facilitated remarkable improvements of numerical methods and may lead…
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…
Measuring entanglement entropy in interacting, multipartite systems remains a significant experimental challenge. We address this challenge by developing a protocol to measure von Neumann entropy (VNE) and mutual information in quantum…
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…
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…
This thesis offers novel strategies for the measurement of quantum correlations present in controllable quantum systems, as well as for a full-fledged implementation of the models of light-matter interaction through which these correlations…
We define correlational (von Neumann) entropy for an individual quantum state of a system whose time-independent hamiltonian contains random parameters and is treated as a member of a statistical ensemble. This entropy is representation…
We present the first hardware implementation of electrostatic interaction energies using a trapped-ion quantum computer. As test system for our computation, we focus on the reduction of $\mathrm{NO}$ to $\mathrm{N}_2\mathrm{O}$ catalyzed by…
We present a method to measure the von Neumann entanglement entropy of ground states of quantum many-body systems which does not require access to the system wave function. The technique is based on a direct thermodynamic study of…
We calculate correlation functions of exactly-solvable one-dimensional flat-band models by utilizing the "molecular-orbital" representation. The models considered in this paper have a gapped ground state with flat-band being fully occupied,…
We consider the low-energy excitations of one-dimensional spin-orbital models which consist of spin waves, orbital waves, and joint spin-orbital excitations. Among the latter we identify strongly entangled spin-orbital bound states which…
Entanglement is considered a fundamental ingredient for quantum technologies and condensed matter systems are among the good candidates for quantum devices. For bipartite pure states the von Neumann entropy is a proper measure of…
We explore quantum correlations, in particular, quantum entanglement, among vibrational phonon modes as well as between electronic and vibrational degrees of freedom in molecular systems, described by Jahn-Teller mechanism. Specifically, to…
The characterization of many-body correlations provides a powerful tool for analyzing correlated quantum materials. However, experimental extraction of quantum entanglement in correlated electronic systems remains an open problem in…
Understanding and quantifying entanglement entropy is crucial to characterize the quantum behaviors that drive phenomena in a variety of systems. Rare-earth spin complexes, with their unique magnetic properties, provide fertile ground for…
The aim of this work is to introduce the entanglement entropy of real and virtual excitations of fermion and photon fields. By rewriting the generating functional of quantum electrodynamics theory as an inner product between quantum…
Quantifying correlation and complexity in quantum many-body states is central to advancing theoretical and computational chemistry, physics, and quantum information science. This work introduces a novel framework, mutual correlation, based…