Related papers: Missing short-range interactions in the hydrogen b…

We study analytically and numerically dynamics and eigenstates of two electrons with Coulomb repulsion on a tight-binding lattice in one and two dimensions. The total energy and momentum of electrons are conserved and we show that for a…

We construct the complementary short-range correlation relativistic local-density-approximation functional to be used in relativistic range-separated density-functional theory based on a Dirac-Coulomb Hamiltonian in the no-pair…

We describe geometrically contact Lagrangian systems under impulsive forces and constraints, as well as instantaneous nonholonomic constraints which are not uniform along the configuration space. In both situations, the vector field…

It is proposed a Lagrangian for the quasi-rigid extended charged particle, which consists of a bare point particle term plus the standard electromagnetic minimal coupling. The quasi-rigid motion is imposed as a constraint. The extension of…

The effect of long-ranged Coulomb interaction on the low energy properties (momentum distribution function, density of states, electron spectral function, and $4k_F$ correlation function) of one-dimensional electron systems is determined…

We study a one-dimensional fluid of hard-rods interacting each other via binary inelastic collisions and a short ranged square-well potential. Upon tuning the depth and the sign of the well, we investigate the interplay between dissipation…

The covalent-like characteristics of hydrogen bonds offer a new perspective on intermolecular interactions. Here, using density functional theory and post-Hartree-Fock methods, we reveal that there are two bonding molecular orbitals (MOs)…

Highly accurate results from frequency measurements on neutral hydrogen molecules H_2, HD and D_2 as well as the HD^+ ion can be interpreted in terms of constraints on possible fifth-force interactions. Where the hydrogen atom is a probe…

Hydrodynamic interactions between particles confined in a liquid-filled linear channel are known to be screened beyond a distance comparable to the channel width. Using a simple analytical theory and lattice-Boltzmann simulations, we show…

Reactive cross-sections for the collision of open shell S(^1D) atoms with ortho- and para-hydrogen, in the kinetic energy range 1-120 K, have been calculated using the hyperspherical quantum reactive scattering method developed by Launay et…

We study the connection between Lagrangian and Hamiltonian descriptions of closed/open dynamics, for a collection of particles with quadratic interaction (closed system) and a sub-collection of particles with linear damping (open system).…

Infrared pump-probe spectroscopy provides detailed information on the dynamics of hydrogen-bonded liquids. Due to dissipation of the absorbed pump pulse energy, also thermal equilibration dynamics contributes to the observed signal.…

There is growing evidence that slow dynamics and dynamic heterogeneity possess structural signatures in glass-forming liquids. However, even in the weakly frustrated glass-forming liquids, whether or not the dynamic heterogeneity has a…

The thermodynamics of a homopolymeric chain with both Van der Waals and highly-directional hydrogen bond interaction is studied. The effect of hydrogen bonds is to reduce dramatically the entropy of low-lying states and to give raise to…

Universal properties of the Coulomb interaction energy apply to all many-electron systems. Bounds on the exchange-correlation energy, inparticular, are important for the construction of improved density functionals. Here we investigate one…

The influence of long-range Coulomb forces on the persistent current of a pinned Wigner crystal-ring is considered. A simple method is proposed for how to take into account Coulomb effects for the macroscopic quantum tunneling of the Wigner…

The prototypical Hydrogen bond in water dimer and Hydrogen bonds in the protonated water dimer, in other small molecules, in water cyclic clusters, and in ice, covering a wide range of bond strengths, are theoretically investigated by…

Using numerical simulations we studied the long time relaxation of the hopping conductivity. Even though no modern computation is able to simulate the behavior of a large size system over minutes or hours so as to observe the relaxation,…

Hydrogen bonding plays a crucial role in biology and technology, yet it remains poorly understood and quantified despite its fundamental importance. Traditional models, which describe hydrogen bonds as electrostatic interactions between…

We show that the contact dynamics obtained from the Herglotz variational principle can be described as a constrained nonholonomic or vakonomic ordinary Lagrangian system depending on a dissipative variable with an adequate choice of one…