相关论文: Quantum Confinement in Hydrogen Bond

Studies of quantum thermal effects on molecular excitation dynamics have often relied on oversimplified models, such as energy eigenstates or low-dimensional potentials, which fail to capture the complexity of real chemical systems. In…

We apply perturbative effective mass theory as a broadly applicable theoretical model for quantum confinement (QC) in all Si and Ge nanostructures including quantum wells (QWs), wires (Q-wires) and dots (QDs). Within the limits of strong,…

Confinement of excitations induces quasilocalized dynamics in disorder-free isolated quantum many-body systems in one spatial dimension. This occurrence is signalled by severe suppression of quantum correlation spreading and of entanglement…

We develop a hydrodynamic description of the collective modes of interacting liquids in a quasi-one-dimensional confining potential. By solving Navier-Stokes equations we determine analytically excitation spectrum of sloshing oscillations.…

We explore quantum correlations, in particular, quantum entanglement, among vibrational phonon modes as well as between electronic and vibrational degrees of freedom in molecular systems, described by Jahn-Teller mechanism. Specifically, to…

The methodology based on the association of the Variational Method with Supersymmetric Quantum Mechanics is used to evaluate the energy states of the confined hydrogen atom.

We investigate the characteristic effects of nuclear motion on attosecond transient absorption spectra in molecules by calculating the spectrum for different model systems. Two models of the hydrogen molecular ion are considered: one where…

A Green's function formalism to analyze the scattering properties in confined geometries is developed. This includes scattering from a central field inside the guide created e.g. by impurities. For atomic collisions our approach applies to…

Exchange interaction has been studied for electrons in coupled quantum dots (QD's) by a configuration interaction method using confinement potentials with different profiles. The confinement potential has been parametrized by a two-centre…

Upon hydrogen bond formation, electronic charge density is transferred between the donor and acceptor, impacting processes ranging from hydration to spectroscopy. Here we use ab initio path integral simulations to elucidate the role of…

Based on quantum-mechanical path-integral molecular dynamics simulations the impact of nuclear quantum effects on the vibrational and hydrogen bond dynamics in liquid water is investigated. The instantaneous fluctuations in the frequencies…

Based on the observed absorption spectral band shifts, the growth process of the semiconductor clusters was divided into two phenomenological regimes: The "molecular regime" that is associated with the band blue shift as the size of cluster…

In the cell, protein complexes form relying on specific interactions between their monomers. Excluded volume effects due to molecular crowding would lead to correlations between molecules even without specific interactions. What is the…

Thermodynamic properties of confined systems depend on sizes of the confinement domain due to quantum nature of particles. Here we show that shape also enters as a control parameter on thermodynamic state functions. By considering specially…

Non-monotonous changes in velocity autocorrelations across the transformation from molecular to atomic fluid in hydrogen under pressure are studied by ab initio molecular dynamics simulations at the temperature 2500 K. We report diffusion…

We theoretically investigate the quantum correlations (in terms of concurrence of indistinguishable electrons) in a prototype molecular system (hydrogen molecule). With the assistance of the standard approximations of the linear combination…

The mechanism of the shift, broadening and quenching of the ammonia inversion frequency with gas pressure has been a problem of lively interest for over seventy years. A simple quantum model of the ammonia molecule perturbed by collisions…

We investigate the rotational response of a confined, two-dimensional quantum droplet, which emerges in an attractive binary Bose mixture that is stabilized against collapse by beyond-mean-field effects. We consider both a harmonic and an…

Confinement is an intriguing phenomenon prevalent in condensed matter and high-energy physics. Exploring its effect on the far-from-equilibrium criticality of quantum many-body systems is of great interest both from a fundamental and…

We propose an optomechanical scheme for reaching quantum entanglement in vibration polaritons. The system involves $N$ molecules, whose vibrations can be fairly entangled with plasmonic cavities. We find that the vibration-photon…