相关论文: The vibrational modes of simplicial molecules

It is suggested that at the melting temperature the thermal phonon vibration is in self-resonance with the lattice vibration of the surface atomic/molecular layer. This self resonance occurs at a well defined temperature and triggers the…

Vibrational-excitation cross sections of ground electronic state of carbon dioxide molecule by electron-impact through the CO2-(2\Pi) shape resonance is considered in the separation of the normal modes approximation. Resonance curves and…

In this paper, we investigate periodic vibrations of a group of particles with a dihedral configuration in the plane governed by the Lennard-Jones and Coulomb forces. Using the gradient equivariant degree, we provide a full topological…

When the dynamics of a spin ensemble are expressible solely in terms of symmetric processes and collective spin operators, the symmetric collective states of the ensemble are preserved. These many-body states, which are invariant under…

Vibrationally coupled electron transport through single-molecule junctions is considered. Reviewing our recent theoretical work, we show that electron-hole pair creation processes represent the key to understand the vibrational excitation…

Let $p$ be a prime. In this paper, we compute complexities of some simple modules of symmetric groups labelled by two-part partitions. Most of the simple modules considered here are contained in the $p$-blocks with non-abelian defect…

We analyze the model of topological fermions, where charged fermions are treated as topological solitons. We discuss vibrations of soliton shapes. It is shown that depending on the power of the potential term (discrete parameter m) of the…

Experiments studying vibrational effects on electronic transport through single molecules have observed several seemingly inconsistent behaviors, ranging from up to 30 harmonics of a vibrational frequency in one experiment, to an absence of…

We propose a q-deformed model of the anharmonic vibrations in diatomic molecules. We analyse the applicability of the model to the phenomenological Dunham's expansion by comparing with experimental data. Our methodology involves a global…

We discuss the classical motion of a spring of arbitrary mass coupled to two arbitrary massive blocks attached at its ends. A general approach to the problem is presented and some general results are obtained. Examples for which a simple…

Numerical studies of amorphous silicon show that the lowest 4% of vibrational modes are plane-wave like ("propagons") and the highest 3% of modes are localized ("locons"). The rest are neither plane-wave like nor localized. We call them…

A procedure for calculation of rotation-vibration states of medium sized molecules is presented. It combines the advantages of variational calculations and perturbation theory. The vibrational problem is solved by diagonalizing a…

We derive an electron-vibration model Hamiltonian in a quantum chemical framework, and explore the extent to which such a Hamiltonian can capture key effects of nonadiabatic dynamics. The model Hamiltonian is a simple two-body operator, and…

The transition between the gas-, supercritical-, and liquid-phase behaviour is a fascinating topic which still lacks molecular-level understanding. Recent ultrafast two-dimensional infrared spectroscopy experiments suggested that the…

We demonstrate that the Dynamic Mode Decomposition technique can effectively reduce the amount of noise in Dispersive Fourier Transform dataset; and allow for finer quantitative analysis of the experimental data. We therefore were able to…

In what has been described as the fourth age of Quantum Chemistry, variational nuclear motion programs are now routinely being used to obtain the vibration-rotation levels and corresponding wavefunctions of small molecules to the sort of…

The excitation of vibrational modes in molecules affects the outcome of chemical reactions, for example by providing molecules with sufficient energy to overcome activation barriers. In this work, we introduce a quantum algorithm for…

We report experimental results on the behavior of an ensemble of inelastically colliding particles, excited by a vibrated piston in a vertical cylinder. When the particle number is increased, we observe a transition from a regime where the…

Small oscillations of a heavy symmetric top are studied when magnitudes of conserved angular momenta are equal to each other. Results show that the small oscillation approximation can be used in these cases.

We consider the dynamical properties of a simple model of vibrational surface modes. We obtain the exact spectrum of surface excitations and discuss their dynamical features. In addition to the usually discussed localized and oscillatory…