Related papers: Electronic-nuclear entanglement in Born-Oppenheime…
The control and manipulation of quantum-entangled non-local states is a crucial step for the development of quantum information processing. A promising route to achieve such states on a wide scale is to couple solid-state quantum emitters…
We analyze fermionic entanglement and correlation measures in the ground and the low temperature thermal state of the water molecule as a function of the internuclear distance in the context of the full configuration interaction approach.…
Polarization and spin correlations in diboson systems serve as powerful tools for precision tests and searches for new physics. Recently, interpreting these observables through the lens of quantum information, for instance by examining…
We introduce a quantum information analysis of vibrational wave functions to understand complex vibrational spectra of molecules with strong anharmonic couplings and vibrational resonances. For this purpose, we define one- and two-modal…
Multiparticle entanglement leads to richer correlations than two-particle entanglement and gives rise to striking contradictions with local realism, inequivalent classes of entanglement, and applications such as one-way or topological…
This paper presents simulations of the state vector dynamics for a pair of atomic samples which are being probed by phase shift measurements on an optical beam passing through both samples. We show how measurements, which are sensitive to…
This article investigates entanglement of the motional states of massive coupled oscillators. The specific realization of an idealized diatomic molecule in one-dimension is considered, but the techniques developed apply to any massive…
We report the observation of entanglement between a single trapped atom and a single photon at a wavelength suitable for low-loss communication over large distances, thereby achieving a crucial step towards long range quantum networks. To…
We investigate the procedure of Schmidt modes extraction in systems with continuous variables. An algorithm based on singular value matrix decomposition is applied to the study of entanglement in an "atom-photon" system with spontaneous…
Using the algebraic dynamical method, the dynamics of entanglement in an atom-field bipartite system in a mixed state is investigated. The atomic center-ofmass motion and the field-mode structure are also included in this system. We find…
We present a general multi-component density functional theory in which electrons and nuclei are treated completely quantum mechanically, without the use of a Born-Oppenheimer approximation. The two fundamental quantities in terms of which…
This work presents an alternative, general, and in-principle exact extension of electronic Kohn-Sham density functional theory (KS-DFT) to the fully quantum-mechanical molecular problem. Unlike in existing multi-component or…
Classical physics is often a good approximation for quantum systems composed of many interacting particles, although wavepacket dispersion and scattering processes continuously induce delocalization and entanglement. According to…
The bond order wave (BOW) phase of the extended Hubbard model (EHM) in one dimension (1D) is characterized at intermediate correlation $U = 4t$ by exact treatment of $N$-site systems. Linear coupling to lattice (Peierls) phonons and…
Molecular adsorbates on metal surfaces exchange energy with substrate phonons and low-lying electron-hole pair excitations. In the limit of weak coupling, electron-hole pair excitations can be seen as exerting frictional forces on…
We develop a phase-space electronic structure theory of molecules in magnetic fields. For a system of electrons in a magnetic field with vector potential $\bf{A}(\hat{\bf{r}})$, the usual Born-Oppenheimer Hamiltonian is the sum of the…
Quantum light spectroscopy, providing novel molecular information non-accessible by classical light, necessitates new computational tools when applied for complex molecular systems. We introduce two computational protocols for the molecular…
We present the Schmidt decomposition for arbitrary wavefunctions of two indistinguishable bosons, extending the recent studies of entanglement or quantum correlations for two fermion systems [J. Schliemann et al., Phys. Rev. B {\bf 63},…
We investigate the dynamics of entanglement in the excitation transfer through a chain of interacting molecules. In the case of two-molecule coupled to noisy environments we show that entanglement can be further enhanced if the distance…
The quantum mechanical motion of the atomic nuclei is considered over a single- or a multi-dimensional subspace of electronic states which is separated by a gap from the rest of the electronic spectrum over the relevant range of nuclear…