Related papers: Electric field induced strong localization of elec…
We analyze the electronic structure of atoms in the first, second and third periods using the electronic kinetic energy density and stress tensor density, which are local quantities motivated by quantum field theoretic consideration,…
We present a simple classification of the different liquid and solid phases of quantum Hall systems in the limit where the Coulomb interaction between the electrons is significant, i.e. away from integral filling factors. This…
Quantum computing promises to tackle technological and industrial problems insurmountable for classical computers. However, today's quantum computers still have limited demonstrable functionality, and it is expected that scaling up to…
There is a pressing need to develop new rechargeable battery technologies that can offer higher energy storage, faster charging, and lower costs. Despite the success of existing methods for the simulation of battery materials, they can…
The chemical dynamics scene is the most important application of computer simulation. We show that electrons jump between potential holes of different depths (new molecular orbits, hybrid atomic orbits with different energies) under the…
Quantum embedding theories are promising approaches to investigate strongly-correlated electronic states of active regions of large-scale molecular or condensed systems. Notable examples are spin defects in semiconductors and insulators. We…
Quantum computers have the potential to advance material design and drug discovery by performing costly electronic structure calculations. A critical aspect of this application requires optimizing the limited resources of the quantum…
We introduce an efficient scheme for the molecular dynamics of electronic systems by means of quantum Monte Carlo. The evaluation of the (Born-Oppenheimer) forces acting on the ionic positions is achieved by two main ingredients: i) the…
We show that quantum computational imaging is advantageous in the setting of low-dose electron microscopy of beam-sensitive specimens. Two qudits placed near the electron beam enable full transfer of quantum information between the electron…
An ultra-strong photovoltaic effect has recently been reported for electrons trapped on a liquid Helium surface under a microwave excitation tuned at intersubband resonance [D. Konstantinov et. al. : J. Phys. Soc. Jpn. 81, 093601 (2012) ].…
Quantum computing provides a new way for approaching problem solving, enabling efficient solutions for problems that are hard on classical computers. It is based on leveraging how quantum particles behave. With researchers around the world…
Electron acceleration by relativistically intense laser beam propagating along a curved surface allows to split softly the accelerated electron bunch and the laser beam. The presence of a curved surface allows to switch an adiabatic…
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…
The dynamics of the development of instability of the free surface of liquid helium, which is charged by electrons localized above it, is studied. It is shown that, if the charge completely screens the electric field above the surface and…
As the realization of a fully operational quantum computer remains distant, quantum simulation, whereby one quantum system is engineered to simulate another, becomes a key goal of great practical importance. Here we report on a variational…
Modeling electronic systems is an important application for quantum computers. In the context of materials science, an important open problem is the computational description of chemical reactions on surfaces. In this work, we outline a…
Atoms deposited on two-dimensional (2D) electronic materials, such as graphene, can exhibit unconventional many-body correlations, not accessible in other settings. All of these are driven by van der Waals forces: between the atoms…
The solvated electron represents an elementary quantum system in a liquid environment. Electrons solvated in water have raised strong interest because of their prototypical properties, their role in radiation chemistry, and their relevance…
As we begin to reach the limits of classical computing, quantum computing has emerged as a technology that has captured the imagination of the scientific world. While for many years, the ability to execute quantum algorithms was only a…
The most fundamental response of a solid to a plasma and vice versa is electric. An electric double layer forms with a solid-bound electron-rich region-the wall charge-and a plasma-bound electron-depleted region-the plasma sheath. But it is…