Related papers: An orthogonal electronic state view on charge delo…
We develop several configuration interaction approaches for characterizing the electronic structure of an adsorbate on a metal surface (at least in model form). When one can separate adsorbate from substrate, these methods can achieve a…
A simple pseudo-Hamiltonian formulation is proposed for the linear inhomogeneous systems of ODEs. In contrast to the usual Hamiltonian mechanics, our approach is based on the use of non-stationary Poisson brackets, i.e. corresponding…
The quantization of the electromagnetic field in a three-dimensional inhomogeneous dielectric medium with losses is carried out in the framework of a damped-polariton model with an arbitrary spatial dependence of its parameters. The…
Charge-transfer excited states are highly relevant for applications in molecular electronics. However, the accurate calculation of these states in large systems is challenging since wave function methods are prohibitively expensive,…
We introduce the isomorphism between the multi-state Hamiltonian and the second-quantized many-electron Hamiltonian (with only 1-electron interactions). This suggests that all methods developed for the former can be employed for the latter,…
A diabatization method is developed for the approximated description of the photoinduced charge separation/transfer processes in the van der Waals (vdW) heterostructure complex, which is based on the wavefunction projection approach using a…
In this contribution we start by proving and generalizing a conjecture that has been established few decades ago, relating the value of the integral of the detachment/attachment density in two pictures - one accounting for…
The ability to pump quantised amounts of charge is one of the hallmarks of topological materials. An archetypical example is Laughlin's gauge argument for transporting an integer number of electrons between the edges of a quantum Hall…
Selected configuration interaction (sCI) methods including second-order perturbative corrections provide near full CI (FCI) quality energies with only a small fraction of the determinants of the FCI space. Here, we introduce both a…
Accurate calculations of strongly correlated materials remain a formidable challenge in condensed matter physics, particularly due to the computational demand of conventional methods. This paper presents an efficient solver for dynamical…
We theoretically study the effect of electron-electron interactions in one-dimensional partially mixed helical states. These helical states can be realized at the edges of two-dimensional topological insulators with partially broken…
Two-electron states bound to donors in silicon are important for both two qubit gates and spin readout. We present a full configuration interaction technique in the atomistic tight-binding basis to capture multi-electron exchange and…
In biological and synthetic materials, many important processes involve charges that are present in a medium with spatially varying dielectric permittivity. To accurately understand the role of electrostatic interactions in such systems, it…
A method for high-fidelity coherent adiabatic transport in a zig-zag tight-binding chain, based on application of two external periodic driving fields, is theoretically proposed. The method turns out to be robust against imperfections and…
In quantum Hall edge states and in other one-dimensional interacting systems, charge fractionalization can occur due to the fact that an injected charge pulse decomposes into eigenmodes propagating at different velocities. If the original…
An investigation on the properties of electronic states of a tight-binding Hamiltonian on the Apollonian network is presented. This structure, which is defined based on the Apollonian packing problem, has been explored both as a complex…
A simple tight-binding model is used to illustrate how the time dependence of a state vector can be obtained from all the eigenvalues and eigenvectors of the Hamiltonian. The behavior of the eigenvalues and eigenvectors is studied for…
The possibility to exploit quantum coherence to strongly enhance the efficiency of charge transport in solid state devices working at ambient conditions would pave the way to disruptive technological applications. In this work, we tackle…
The von Neumann entropy of various quantum dissipative models is calculated in order to discuss the entanglement properties of these systems. First, integrable quantum dissipative models are discussed, i.e., the quantum Brownian motion and…
We propose a series of dissipation-assisted entanglement generation protocols that can be implemented on a trapped-ion quantum simulator. Our approach builds on the single-site molecular electron transfer (ET) model recently realized in the…