相关论文: Non-adiabatic theory of the hydrogen bond. Quantum…

Water is an associated liquid in which the main intermolecular interaction is the hydrogen bond (HB) which is limited to four per atom, independently of the number of neighbours. We have considered a hydrogen bond net superposed on Bernal's…

Nonthermal attractors govern the emergent self-similar dynamics of far-from-equilibrium quantum systems, from ultrarelativistic nuclear collisions to cold-atom experiments. Within the framework of adiabatic hydrodynamization, the approach…

We conducted experiments on the role of molecular hydrogen physisorbed between two metallic surfaces. Such hydrogen leads to strong signatures in inelastic electron tunneling spectroscopy exceeding the amplitude of typical inelastic…

In this work, the quantum confinement effect is proposed as the cause of the displacement of the vibrational spectrum of molecular groups that involve hydrogen bonds. In this approach the hydrogen bond imposes a space barrier to hydrogen…

We analyze nonlinear coupling between individual vibrational quanta for trapped ions. The nonlinear Coulomb interaction causes a Kerr-type Hamiltonian, for which we derive an analytical expression for the coupling constant. In contrast to a…

The intermolecular interactions in the title compound are investigated using self-consistent charge density functional based tight binding molecular dynamics. Emphasis is put on the analysis of correlated motions of ion pairs using ideas of…

In hydrogen bonded systems, nuclear quantum effects such as zero-point motion and tunneling can significantly affect their material properties through underlying physical and chemical processes. Presently, direct observation of the…

Solid state physics deals with systems composed of atoms with strongly bound electrons. The tunneling probability of each electron is determined by interactions that typically extend to neighboring sites, as their corresponding wave…

Non-adiabatic molecular dynamics simulations are used to analyze the role of different solvent degrees of freedom in the non-radiative relaxation of the first excited state of the hydrated electron. The relaxation occurs through a…

For the description of the transport of electrons across a quantum dot, which is tunnel coupled to leads at different chemical potentials, it is usual to assume that the total Hamiltonian of the composite system of the leads and the quantum…

Hybrid ion-atom systems provide an excellent platform for studies of state-resolved quantum chemistry at low temperatures, where quantum effects may be prevalent. Here we study theoretically the process of vibrational relaxation of an…

The intraband electromagnetic transitions in the framework of collective Hamiltonian for chiral and wobbling modes are calculated. By going beyond the mean field approximation on the orientations of rotational axis, the collective…

A basic model of hydrogen bonds related to $\rm{H}_2\rm{O}$, which is adapted from the Jaynes--Cummings model, is suggested, and its different dynamic features are studied theoretically. In this model, the making and breaking of hydrogen…

The hydrogen atom as relativistic bound-state system of a proton and an electron in the complex-mass scheme is investigated. Interaction of a proton and an electron in the atom is described by the Lorentz-scalar Coulomb potential; the…

We obtain the dynamics in number and phase difference, for Bose condensates that tunnel between two wells of a double-well atomic trap, using the (nonlinear) Gross-Pitaevskii equation.The dynamical equations are of the canonical form for…

We present a graphical analysis of the adiabatic connections underlying double-hybrid density-functional methods that employ second-order perturbation theory. Approximate adiabatic connection formulae relevant to the construction of these…

Hybrid baryon states are described in quark potential models as having explicit excitation of the gluon degrees of freedom. Such states are described in a model motivated by the strong coupling limit of Hamiltonian lattice gauge theory,…

In this paper, we study a nonlinear two-dimensional two-particle quantum tunnel effect with dissipation in diatomic H-H system. We use an instanton technique based on the path integral approach, and present analytical solutions, in the…

We propose an alternative to the usual time--independent Born--Oppenheimer approximation that is specifically designed to describe molecules with symmetrical Hydrogen bonds. In our approach, the masses of the Hydrogen nuclei are scaled…

The hydrogen-bond network of water is characterized by the presence of coordination defects relative to the ideal tetrahedral network of ice, whose fluctuations determine the static and time-dependent properties of the liquid. Because of…