相关论文: Comparison of physical processes of atom-surface s…
Quantum diffusion is studied via dissipative Madelung hydrodynamics. Initially the wave packet spreads ballistically, than passes for an instant through normal diffusion and later tends asymptotically to a sub-diffusive law. It is shown…
Quantum reflection is a universal property of atoms and molecules when scattered from surfaces in ultracold collisions. Recent experimental work has documented the quantum reflection and diffraction of He atoms, dimers, trimers and Neon…
We study the real-time dynamics of quantum models with long-range interactions coupled to a heat-bath within the closed-time path-integral formalism. We show that quantum fluctuations depress the transition temperature. In the subcritical…
Studying chemical reactions, particularly in the gas phase, relies heavily on computing scattering matrix elements. These elements are essential for characterizing molecular reactions and accurately determining reaction probabilities.…
The classical and quantum dynamics for an n-dimensional generalization of the kicked planar (n=1) rotator in an additional effective centrifugal potential. Therefore, typical phenomena like the diffusion in classical phase space are similar…
Quantum scattering is used ubiquitously in both experimental and theoretical physics across a wide range of disciplines, from high-energy physics to mesoscopic physics. In this work, we uncover universal relations for the energy…
For complex molecules, nuclear degrees of freedom can act as an environment for the electronic `system' variables, allowing the theory and concepts of open quantum systems to be applied. However, when molecular system-environment…
We explore model electron dynamics of an atom scattering off a surface within the time-dependent complete active space self consistent field (TD-CASSCF) approximation. We focus especially on the scattering of a hydrogen atom and its…
A nonrelativistic quantum mechanical particle moving freely on a curved surface feels the effect of the nontrivial geometry of the surface through the kinetic part of the Hamiltonian, which is proportional to the Laplace-Beltrami operator,…
In the second part of this paper in micro canonical ensemble the new numerical approach for consideration of quantum dynamics and calculations of the average values of quantum operators and time correlation functions in the Wigner…
We study the quantum tunnelling of a very complex object of which only part is coupled to an external potential ( the potential barrier ). We treat this problem as the tunnelling of a particle (part of the system affected by the potential)…
We develop a non-perturbative approach to simulating scattering on classical and quantum computers, in which the initial and final states contain a fixed number of composite particles. The construction is designed to mimic a particle…
At non-zero temperature classical systems exhibit statistical fluctuations of thermodynamic quantities arising from the variation of the system's initial conditions and its interaction with the environment. The fluctuating work, for…
The coherent process of particle deflection by aligned atomic strings and planes of oriented crystals is accompanied by incoherent scattering by atomic cores. While the coherent particle deflection, described by the axial or planar averaged…
Light nuclei at room temperature and below exhibit a kinetic energy which significantly deviates from the predictions of classical statistical mechanics. This quantum kinetic energy is responsible for a wide variety of isotope effects of…
A quantum Markovian activated atom-surface diffusion model with interacting adsorbates is proposed for the intermediate scattering function, which is shown to be complex-valued and factorizable into a classical-like and a quantum-mechanical…
Quantum effects in material systems are often pronounced at low energies and become insignificant at high temperatures. We find that, perhaps counterintuitively, certain quantum effects may follow the opposite route and become sharp when…
For a particle traversing a bent crystal in the regime of volume reflection we evaluate the probability of interaction with atomic nuclei. Regardless of the continuous potential shape, this probability is found to differ from the…
The mass (volume and areal densities) versus velocity as well as the size versus velocity distributions of a shock-induced cloud of particles are investigated using large scale molecular dynamics (MD) simulations. A generic 3D tin crystal…
The dynamics of active particles is of interest at many levels and is the focus of theoretical and experimental research. There have been many attempts to describe the dynamics of particles affected by random active forces in terms of an…