Related papers: Vibrational Frequency used as Internal Clock Refer…
Partial atomic charges are a useful and intuitive concept for understanding molecular properties and chemical reaction mechanisms, showing how changes in molecular geometry can affect the flow of electronic charge within a molecule.…
A full set of vibrationally-resolved cross sections for electron impact excitation of NO(X2{\Pi}, v) molecules is calculated from ab initio molecular dynamics, in the framework of the local-complex-potential approach. Electron-vibration…
We study the coherent dynamics of excitations on vibrating chains. By applying an external field and matching the field strength with the oscillation frequency of the chain it is possible to obtain an (average) transport of an initial…
There have been concerted efforts in recent years to realize the next generation of clocks using alkaline earth atoms in an optical lattice. Assuming that the atoms are independent, such a clock would benefit from a $\sqrt{N}$ enhancement…
Oscillation is an important cellular process that regulates timing of different vital life cycles. However, in the noisy cellular environment, oscillations can be highly inaccurate due to phase fluctuations. It remains poorly understood how…
The charge ordering transition induced by the nearest-neighbor Coulomb repulsion, V, in the 1/4-filled extended Hubbard model is investigated using Cellular Dynamical Mean-Field Theory. We find a transition to a strongly renormalized charge…
Molecular dynamical (MD) simulations are performed to simulate two dimensional vibrofluidized granular materials in this work. Statistics on simulation results indicate that there exist shocks propagating upward in each vibrating cycle.…
Force fields uniquely assign interatomic forces for a given set of atomic coordinates. The underlying assumption is that electrons are in their quantum-mechanical ground state or in thermal equilibrium. However, there is an abundance of…
We simulate the long-range inter-complex electronic energy transfer in Photosystem II -- from the antenna complex, via a core complex, to the reaction center -- using a non-Markovian (ZOFE) quantum master equation description that allows us…
Atomic clock interferometers are a valuable tool to test the interface between quantum theory and gravity, in particular via the measurement of gravitational time dilation in the quantum regime. Here, we investigate whether gravitational…
In time-resolved pump-probe vibrational spectroscopy the internal stretch mode of polar molecules is utilized as a key observable to characterize the ultrafast dynamics of adsorbates on surfaces. The adsorbates non-adiabatic intermode…
We have studied electrical switching with S-shaped I-V characteristics in two-terminal MOM devices based on vanadium dioxide thin films. The switching effect is associated with the metal-insulator phase transition. Relaxation oscillations…
Electron channeling in silicon crystals has brought forward the possibility of having detected a particle's "internal clock", as an intrinsic oscillation with de Broglie's frequency. The transmission probability along a major axial…
Atomic vibrations control all thermally activated processes in materials including diffusion, heat transport, phase transformations, and surface chemistry. Recent developments in monochromated, aberration-corrected scanning transmission…
By treating the electron-ion interaction as perturbation in the first-principles Hamiltonian, we have calculated the density response functions of a fluid alkali metal to find an interesting charge instability due to anomalous electronic…
A time-dependent approach is used to explore inelastic effects during electron transport through few-level systems. We study a tight-binding chain with one and two sites connected to vibrations. This simple but transparent model gives…
Sensitivity to temporal variation of the fundamental constants may be strongly enhanced in transitions between narrow close levels of different nature. This enhancement may be realized in a large number of molecules due to cancelation…
Heat dissipation is ubiquitous in living systems, which constantly convert distinct forms of energy into each other. The transport of thermal energy in liquids and even within proteins is well understood but kinetic energy transfer across a…
Molecular dynamics simulations have been performed to study frictional slip and its influence on energy dissipation and momentum transfer at atomically smooth solid/water interfaces. By modifying surface chemistry, we investigate the…
Neutral quantum absorbers in optical lattices have emerged as a leading platform for achieving clocks with exquisite spectroscopic resolution. However, the studies of these clocks and their systematic shifts have so far been limited to…