Related papers: A paradigm system for strong correlation and charg…
We study quantum percolation which is described by a tight-binding Hamiltonian containing only off-diagonal hopping terms that are generally in quenched binary disorder (zero or one). In such a system, transmission of a quantum particle is…
Theoretical concepts in condensed matter physics are typically verified and also developed by exploiting computer simulations mostly in simple models. Predictions based on these usually isotropic models are often at odds with measurement…
Identifying and characterizing systems with coupled and competing interactions is central to the development of physical models that can accurately describe and predict emergent behavior in condensed matter systems. This work demonstrates…
Several physical systems in condensed matter have been modeled approximating their constituent particles as hard objects. The hard spheres model has been indeed one of the cornerstones of the computational and theoretical description in…
In order to assess inelastic effects on two fermion entanglement production, we address an exactly solvable two-particle scattering problem where the target is an excitable scatterer. Useful entanglement, as measured by the two particle…
Many problems in physical chemistry involve systems that are coupled to an environment, such as a molecule interacting with an adjacent surface, possibly resulting in meta-stable molecular states where electron density is transferred to the…
Atomic quantum gases in the strong-correlation regime offer unique possibilities to explore a variety of many-body quantum phenomena. Reaching this regime has usually required both strong elastic and weak inelastic interactions, as the…
Some emerging concepts of nuclear structure are overviewed. (1) Background: the many-body quantum structure of atomic nucleus, a complex system comprising protons and neutrons (called nucleons collectively), has been studied largely based…
Shannon entropies of one- and two-electron atomic structure factors in the position and momentum representations are used to examine the behavior of the off-diagonal elements of density matrices with respect to the uncertainty principle and…
The structures and distributions of light nuclei are investigated within a microscopic correlation model. Two particle correlations are responsible for the scattering of model particles either to low momentum- or to high momentum-states.…
The study of entanglement in strongly correlated electron systems typically requires knowledge of the reduced density matrix. Here, we apply the parquet dynamical vertex approximation to study the two-site reduced density matrix at varying…
Recent years have shown steady progress in research towards molecular electronics [1,2], where molecules have been investigated as switches [3-5], diodes [6], and electronic mixers [7]. In much of the previous work a Scanning Tunnelling…
In this work the systematic theory of discharge structure is built for highly electronegative plasma, by means of self-consistent fluid model simulation that is based on the finite element method. The highly electronegative plasma is…
Electronic coherences are key to understanding and controlling photo-induced molecular transformations. We identify a crucial quantum-mechanical feature of electron-nuclear correlation, the projected nuclear quantum momenta, essential to…
We propose a tight-binding model to investigate electronic transport properties of single helical protein molecules incorporating both the helical symmetry and the possibility of multiple charge transfer pathways. Our study reveals that due…
We investigate a two-scale system featuring an upscaled parabolic dispersion-reaction equation intimately linked to a family of elliptic cell problems. The system is strongly coupled through a dispersion tensor, which depends on the…
We study the dynamical entanglement of two identical atoms interacting with a quantum field. As a simplified model for this physical system we consider two harmonic oscillators linearly coupled to a massless scalar field in the dressed…
It is demonstrated in the (pseudo)spin S=1 formalism that the structure of antiphase domain boundaries in the phase of charge ordering of a mixed-valence system of the Cu1+, 2+, 3+ "triplet" type in cuprates on a two-dimensional square…
While in principle exact, Kohn-Sham density functional theory -- the workhorse of computational chemistry -- must rely on approximations for the exchange-correlation functional. Despite staggering successes, present-day approximations still…
A new electronic structure model is developed in which the ground state energy of a molecular system is given by a Hartree-Fock-like expression with parametrized one- and two-electron integrals over an extended (minimal + polarization) set…