Related papers: Quantum and Structural Effects Captured via a Stat…
To understand the recently observed mysterious non-adiabatic energy transfer for hyperthermal H atom scattering from a semiconductor surface, Ge(111)c(2*8), we present a mixed quantum-classical non-adiabatic molecular dynamics model based…
Adiabatic quantum computing (AQC) is a promising approach for discrete and often NP-hard optimization problems. Current AQCs allow to implement problems of research interest, which has sparked the development of quantum representations for…
We extend the rigorous adiabatic coupled-channel formalism to ultracold nonreactive atom-molecule collisions in the presence of an external magnetic field. The wavefunction of the collision complex is expanded in adiabatic basis states…
An one dimensional adiabatic model has been proposed for fusion of loosely bound and halo light nuclei with various heavy targets. It is shown that fusion cross sections at near and sub-barrier energies can be explained using a simple WKB…
Astrophysical modeling of processes in environments that are not in local thermal equilibrium requires the knowledge of state-to-state rate coefficients of rovibrational transitions in molecular collisions. These rate coefficients can be…
The development of advanced quantum technologies and the quest for a deeper understanding of many-particle quantum mechanics requires control over the quantum state of interacting particles to a high degree of fidelity. However, the quickly…
We review recent theoretical calculations of charge transfer through mesoscopic devices in response to slowly-oscillating, spatially-confined, potentials. The discussion is restricted to non-interacting electrons, and emphasizes the role of…
We perform on-the-fly non-adiabatic molecular dynamics simulations using the symmetrical quasi-classical (SQC) approach with the recently suggested molecular Tully models: ethylene and fulvene. We attempt to provide benchmarks of the SQC…
Dissociative chemisorption is a key process in hydrogen-metal surface chemistry, where nonadiabatic effects due to low-lying electron-hole-pair excitations may affect reaction outcomes. Molecular dynamics with electronic friction…
Many physically interesting models show a quantum phase transition when a single parameter is varied through a critical point, where the ground state and the first excited state become degenerate. When this parameter appears as a coupling…
We consider quantum statistics of charge transmitted through a mesoscopic device in the adiabatic pumping process. A general formula for the distribution function of the transmitted charge in terms of the time-dependent S-matrix is…
We study the onset of particle statistics effects as the temperature is lowered in strongly correlated two-dimensional Hubbard models. We utilize numerical linked-cluster expansions and focus on the properties of interacting lattice…
Adiabatic quantum algorithms represent a promising approach to universal quantum computation. Whilst in a closed system these algorithms are limited by avoided level crossings, where the gap becomes exponentially small in the system size,…
Microscopic thermal machines promise to play an important role in future quantum technologies. Making such devices widely applicable will require effective strategies to channel their output into easily accessible storage systems like…
Density-functional theory calculations are performed to investigate hydrogen transport in the proton conductor BaSnO$_3$. Structural optimizations in the stable and saddle point configurations for transfer and reorientation allow…
A quantum statistical model of nuclear multifragmentation is proposed. The recurrence equation method used within the canonical ensemble makes the model solvable and transparent to physical assumptions and allows to get results without…
It is shown that statistical mechanics is applicable to isolated quantum systems with finite numbers of particles, such as complex atoms, atomic clusters, or quantum dots in solids, where the residual two-body interaction is sufficiently…
The design of new quantum algorithms has proven to be an extremely difficult task. This paper considers a different approach to the problem, by studying the problem of 'quantum state generation'. This approach provides intriguing links…
In this paper we study up to which extent we can apply adiabatic control strategies to a quantum control model obtained by rotating wave approximation. In particular, we show that, under suitable assumptions on the asymptotic regime between…
A theoretical method for the estimation of cross sections and rates for excitation and charge transfer processes in low-energy hydrogen atom collisions with neutral atoms, based on an asymptotic two-electron model of ionic-covalent…