Related papers: Electronic-nuclear entanglement in Born-Oppenheime…
In this work we develop a theory of correlated many-electron dynamics dressed by the presence of a finite-temperature harmonic bath. The theory is based on the ab-initio Hamiltonian, and thus well-defined apart from any phenomenological…
We study a general problem of the translational/rotational/vibrational/electronic dynamics of a diatomic molecule exposed to an interaction with an arbitrary external electromagnetic field. The theory developed in this paper is relevant to…
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…
We investigate entanglement transfer from a system of two spin-entangled electron-hole pairs, each placed in a separate single mode cavity, to the photons emitted during their recombination process. Dipole selection rules and a splitting…
We propose an alternative to the usual time--independent Born--Oppenheimer approximation that is specifically designed to describe molecules with non--symmetrical hydrogen bonds. In our approach, the masses of the hydrogen nuclei are scaled…
We investigate the entanglement properties of an ensemble of atoms interacting with a single bosonic field mode via the Dicke (superradiance) Hamiltonian. The model exhibits a quantum phase transition and a well-understood thermodynamic…
We investigate the effects of inhomogeneities on spin entanglement in many-electron systems from an ab-initio approach. The key quantity in our approach is the local spin entanglement length, which is derived from the local concurrence of…
Entanglement is an extraordinary feature of quantum mechanics. Sources of entangled optical photons were essential to test the foundations of quantum physics through violations of Bell's inequalities. More recently, entangled many-body…
We investigate entanglement between electronic and nuclear degrees of freedom for a model nonadiabatic system. We find that entanglement (measured by the von Neumann entropy of the subsystem for the eigenstates) is large in a statistical…
We revisit the three-body problem in quantum mechanics in two and three dimensions, generating both exact eigenvalues and eigenvectors of the Hamiltonian and a series of approximate solutions as calculated with a variety of different…
In this work, we provided a proof-of-principle of efficient production of maximally entangled states using charged quantum dots coupled to vibrational modes. The physical system consists of two pairs of quantum dots, each pair with a single…
The ground-state entanglement of a single particle of the N-harmonium system (i.e., a completely-integrable model of $N$ particles where both the confinement and the two-particle interaction are harmonic) is shown to be analytically…
The combined quantum electron-nuclear dynamics is often associated with the Born-Huang expansion of the molecular wave function and the appearance of nonadiabatic effects as a perturbation. On the other hand, native multicomponent…
Transmission electron microscopes (TEMs) enable atomic-scale imaging and characterisation, driving advances across fields from materials science to biology. Quantum correlations, specifically entanglement, may provide a basis for novel…
We present a way of partly reincorporate the effects of the localized bonding electrons on the dynamics of their itinerant counterparts in Hubbard-like Hamiltonians. This is done by relaxing the constraint that the former should be entirely…
Quantum computing has the potential to reduce the computational cost required for quantum dynamics simulations. However, existing quantum algorithms for coupled electron-nuclear dynamics simulation either require fault-tolerant devices, or…
The interaction between electronic and vibrational degrees of freedom is an important mechanism in nonequilibrium charge transport through molecular nanojunctions. While adiabatic polaron-type coupling has been studied in great detail, new…
We explore the correlations and entanglements of exact-diagonalized few-electron wave functions in a quantum dot in magnetic fields without the Zeeman splitting. With the increase of the field, the lowest states with different spins…
The basic concepts of orbital entanglement and its application to chemistry are briefly reviewed. The calculation of orbital entanglement measures from correlated wavefunctions is discussed in terms of reduced $n$-particle density matrices.…
Photoionization using attosecond pulses can lead to the formation of coherent superpositions of the electronic states of the parent ion. However, ultrafast electron ejection triggers not only electronic but also nuclear dynamics---leading…