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

A solution of the two-dimensional Schr\"odinger equation with Pauli-Fierz Hamiltonian and trigonometric double-well potential is obtained within the framework of the first-order of adiabatic approximation. The case of vibrational strong…

The adiabatic approximation is a natural approach for the description of phenomena induced by low frequency laser radiation because the ratio of the laser frequency to the characteristic frequency of an atom or a molecule is a small…

We study a non-Hermitian generalization of quantum systems in which an imaginary vector potential is added to the momentum operator. In the tight-binding approximation, we make the hopping energy asymmetric in the Hermitian Hamiltonian. In…

Two-dimensional infrared spectroscopy experiments have presented new results regarding the dynamics of the hydrated excess proton (aka <q>hydronium</q> cation solvated in water). It has been suggested by these experiments that the hydrated…

Supercooled water exhibits remarkably slow dynamics similar to the behavior observed for various glass-forming liquids. The local order of tetrahedral structures due to hydrogen-bonds (H-bonds) increases with decreasing temperature. Thus,…

We expand the definition of our recently proposed proton conduction mechanism, the packed-acid mechanism, which occurs under conditions of concentrated proton donors. The original definition stated that acid-acid interactions, which help…

We investigate quantum tunneling in a translation invariant chain of particles. The particles interact harmonically with their nearest neighbors, except for one bond, which is anharmonic. It is described by a symmetric double well…

In this work a series of analyses are performed on ab initio molecular dynamics (AIMD) simulations of a hydrated excess proton in water to quantify the relative occurrence of concerted hopping events and <span>rattling</span> events, and…

Newtonian adiabatics is the consistent truncation of the adiabatic approximation to second order in small velocities. To be complete it must unify two hitherto disjoint intellectual streams in the study of adiabatic motion. The newer stream…

We introduce a theory that exposes the fundamental and previously overlooked connection between the correlation among electrons and the degree of quantum coherence of electronic states in matter. For arbitrary states, the effects only…

The invariant mass of free particles is used to derive a bound-state equation for the hydrogen atom at rest. This equation has the well-known solutions for the single-particle states. Existence of two-particle bound states, for which the…

We present a probabilistic approach to water-water hydrogen bonding that allows one to obtain an analytic expression for the number of bonds per water molecule as a function of both its distance to a hydrophobic particle and hydrophobe…

Mixed quantum-classical mechanics descriptions are critical to modeling coupled electron-nuclear dynamics, i.e. non-adiabatic molecular dynamics, relevant to photochemical and photophysical processes. We argue that, for polyatomic…

An one dimensional adiabatic model has been proposed for fusion of loosely bound and halo light nuclei with various heavy targets. It is shown that fusion cross sections at near and sub-barrier energies can be explained using a simple WKB…

We analyze the properties of the exact solution obtained by us recently for the extended Hetiler-London model for chemical bonding which has an analytic form. The emphasis is put on defining two-particle entanglement correlation as the…

Known quantum and classical perturbative long-distance corrections to the Newton potential are extended into the short-distance regime using evolution equations for a `running' gravitational coupling, which is used to construct examples…

A Lagrangian formalism is developed for a general nondissipative quasiperiodic nonlinear wave with trapped particles in collisionless plasma. The adiabatic time-averaged Lagrangian density $\mcc{L}$ is expressed in terms of the…

A conceptually simple physical interpretation of a conserved Hamiltonian $\mathcal{H}$ for a mechanical system with a time-dependent constraint is given. For the case of a bead on a vertical hoop forced to rotate with constant angular…

We present a new computational method for the determination of energy levels in four-particle systems like H$_2$, HD, and HeH$^+$ using explicitly correlated exponential basis functions and analytic integration formulas. In solving the…

In this paper we study up to which extent we can apply adiabatic control strategies to a quantum control model obtained by rotating wave approximation. In particular, we show that, under suitable assumptions on the asymptotic regime between…