Related papers: Electronic quantum trajectories with quantum nucle…
The powerful molecular dynamics (MD) simulation is basically based on a picture that the atoms experience classical-like trajectories under the exertion of classical force field determined by the quantum mechanically solved electronic…
Digital quantum computers offer a promising route for studying complex many-body systems that are otherwise inaccessible by their classical counterparts. Capabilities including mid-circuit measurements and feedback allow for simulating the…
In the literature, the study of electron transport in quantum devices is mainly devoted to DC properties. The fluctuations of the electrical current around these DC values, the so-called quantum noise, are much less analyzed. The…
In this paper we focus our attention on a particle that follows a unidirectional quantum walk, an alternative version of the nowadays widespread discrete-time quantum walk on a line. Here the walker at each time step can either remain in…
Within the nuclear-electronic orbital (NEO) framework, the real-time NEO time-dependent density functional theory (RT-NEO-TDDFT) approach enables the simulation of coupled electronic-nuclear dynamics. In this approach, the electrons and…
Superconducting circuits have become a leading quantum technology for testing fundamentals of quantum mechanics and for the implementation of advanced quantum information protocols. In this chapter, we revise the basic concepts of circuit…
We describe the advantages and disadvantages of numerical methods when Bohmian trajectory-grids are used for numerical simulations of quantum dynamics. We focus on the crucial non crossing property of Bohmian trajectories, which numerically…
In pre-Born-Oppenheimer (pre-BO) theory a molecule is considered as a quantum system as a whole, including the electrons and the atomic nuclei on the same footing. This approach is fundamentally different from the traditional quantum…
This report presents a new approach for treating the coupling of electrons and nuclei in quantum mechanical calculations for molecules and condensed matter. It includes the standard "Born-Oppenheimer approximation" as a special case but…
After the seminal work of R. Landauer in 1957 relating the electrical resistance of a conductor to its scattering properties, much progress has been made in our ability to predict the performance of electron devices in the DC (stationary)…
This dissertation presents investigations on dynamics of discrete-time quantum walk and some of its applications. Quantum walks has been exploited as an useful tool for quantum algorithms in quantum computing. Beyond quantum computational…
Classical random walk formalism shows a significant role across a wide range of applications. As its quantum counterpart, the quantum walk is proposed as an important theoretical model for quantum computing. By exploiting the quantum…
In classical theory, the trajectory of a particle is entirely predetermined by the complete set of initial conditions via dynamical laws. Based on this, we formulate a no-go theorem for the dynamics of classical particles, i.e., a Bell's…
A quantum walk is a time-homogeneous quantum-mechanical process on a graph defined by analogy to classical random walk. The quantum walker is a particle that moves from a given vertex to adjacent vertices in quantum superposition. Here we…
We report on the experimental realization of electric quantum walks, which mimic the effect of an electric field on a charged particle in a lattice. Starting from a textbook implementation of discrete-time quantum walks, we introduce an…
Quantum entanglement is a key resource for quantum technologies, including emerging ground-to-satellite quantum communication. In such a scenario, an important challenge to be overcome is to consider entanglement between two or more quantum…
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…
We discuss quantum dynamics in multi-dimensional non-linear systems. It is well-known that wave functions are localized in a kicked rotor model. However, coupling with other degrees of freedom breaks the localization. In order to clarify…
Acausal features of quantum electrodynamic processes are discussed. While these processes are not present for the classical electrodynamic theory, in the quantum electrodynamic theory, acausal processes are well known to exist. For example,…
We develop a formalism to accurately account for the renormalization of electronic structure due to quantum and thermal nuclear motions within the Born-Oppenheimer approximation. We focus on the fundamental energy gap obtained from…