Classical line shapes based on analytical solutions of bimolecular trajectories in collision induced emission. II. Reactive collisions

The classical theory of collision induced emission (CIE) from pairs of dissimilar rare gas atoms was developed in Paper I [D. Reguera and G. Birnbaum, J. Chem. Phys. 125, 184304 (2006)] from a knowledge of the straight line collision trajectory and the assumption that the magnitude of the dipole could be represented by an exponential function of the inter-nuclear distance. This theory is extended here to deal with other functional forms of the induced dipole as revealed by ab initio calculations. Accurate analytical expression for the CIE can be obtained by least square fitting of the ab initio values of the dipole as a function of inter-atomic separation using a sum of exponentials and then proceeding as in Paper I. However, we also show how the multi-exponential fit can be replaced by a simpler fit using only two analytic functions. Our analysis is applied to the polar molecules HF and HBr. Unlike the rare gas atoms considered previously, these atomic pairs form stable bound diatomic molecules. We show that, interestingly, the spectra of these reactive molecules are characterized by the presence of multiple peaks. We also discuss the CIE arising from half collisions in excited electronic states, which in principle could be probed in photo-dissociation experiments.

Lagrangian formalism and retarded classical electrodynamics

Unlike the 1/c2 approximation, where classical electrodynamics is described by the Darwin Lagrangian, here there is no Lagrangian to describe retarded (resp., advanced) classical electrodynamics up to 1/c3 for two-point charges with different masses.

Molecular Physics of Elementary Processes relevant to Hypersonics: atom-molecule, molecule-molecule and atom-surface processes.

In the present chapter some prototype gas and gas-surface processes occurring within the hypersonic flow layer surrounding spacecrafts at planetary entry are discussed. The discussion is based on microscopic dynamical calculations of the detailed cross sections and rate coefficients performed using classical mechanics treatments for atoms, molecules and surfaces. Such treatment allows the evaluation of the efficiency of thermal processes (both at equilibrium and nonequilibrium distributions) based on state-to-state and state specific calculations properly averaged over the population of the initial states. The dependence of the efficiency of the considered processes on the initial partitioning of energy among the various degrees of freedom is discussed.

Quantum-to-classical crossover in full counting statistics

The reduction of quantum scattering leads to the suppression of shot noise. In this Letter, we analyze the crossover from the quantum transport regime with universal shot noise to the classical regime where noise vanishes. By making use of the stochastic path integral approach, we find the statistics of transport and the transmission properties of a chaotic cavity as a function of a system parameter controlling the crossover. We identify three different scenarios of the crossover.

Some non- linear problems in theoretical physics

An immense variety of problems in theoretical physics are of the non-linear type. Non~linear partial differential equations (NPDE) have almost become the rule rather than an exception in diverse branches of physics such as fluid mechanics, field theory, particle physics, statistical physics and optics, and the construction of exact solutions of these equations constitutes one of the most vigorous activities in theoretical physics today. The thesis entitled ‘Some Non-linear Problems in Theoretical Physics’ addresses various aspects of this problem at the classical level. For obtaining exact solutions we have used mathematical tools like the bilinear operator method, base equation technique and similarity method with emphasis on its group theoretical aspects. The thesis deals with certain methods of finding exact solutions of a number of non-linear partial differential equations of importance to theoretical physics. Some of these new solutions are of relevance from the applications point of view in diverse branches such as elementary particle physics, field theory, solid state physics and non-linear optics and give some insight into the stable or unstable behavior of dynamical Systems The thesis consists of six chapters.

Controlling the transport of an ion: classical and quantum mechanical solutions

The accurate transport of an ion over macroscopic distances represents a challenging control problem due to the different length and time scales that enter and the experimental limitations on the controls that need to be accounted for. Here, we investigate the performance of different control techniques for ion transport in state-of-the-art segmented miniaturized ion traps. We employ numerical optimization of classical trajectories and quantum wavepacket propagation as well as analytical solutions derived from invariant based inverse engineering and geometric optimal control. The applicability of each of the control methods depends on the length and time scales of the transport. Our comprehensive set of tools allows us make a number of observations. We find that accurate shuttling can be performed with operation times below the trap oscillation period. The maximum speed is limited by the maximum acceleration that can be exerted on the ion. When using controls obtained from classical dynamics for wavepacket propagation, wavepacket squeezing is the only quantum effect that comes into play for a large range of trapping parameters. We show that this can be corrected by a compensating force derived from invariant based inverse engineering, without a significant increase in the operation time.

The Stern-Gerlach Phenomenon According to Classical Electrodynamics

We present a description of the Stem-Gerlach type experiments using only the concepts of classical electrodynamics and the Newton`s equations of motion. The quantization of the projections of the spin (or the projections of the magnetic dipole) is not introduced in our calculations. The main characteristic of our approach is a quantitative analysis of the motion of the magnetic atoms at the entrance of the magnetic field region. This study reveals a mechanism which modifies continuously the orientation of the magnetic dipole of the atom in a very short time interval, at the entrance of the magnetic field region. The mechanism is based on the conservation of the total energy associated with a magnetic dipole which moves in a non uniform magnetic field generated by an electromagnet. A detailed quantitative comparison with the (1922) Stem-Gerlach experiment and the didactical (1967) experiment by J.R. Zacharias is presented. We conclude, contrary to the original Stern-Gerlach statement, that the classical explanations are not ruled out by the experimental data.

Classical simulation of deposition of thiophene oligomers on TiO(2)-anatase: Relevance of long-range electrostatic interactions

We performed classical molecular dynamics simulations of the vapor-deposition of alpha-T4 oligomers on the TiO(2)-anatase (101) surface, comparing different sets of charges associated with the atoms of the model. The potential energy surfaces for alpha-T4 and TiO(2) were described by re-parametrizations of the Universal force field with charges given by the charge equilibration (QEq) scheme, or with fixed charges obtained by an ab initio method using the Hirshfeld partition. The two sets of charges lead to completely different results for the interface formation, and for the characteristics of the organic film, with a clearly defined alpha-T4 contact layer in the QEq case, and a more homogeneous molecular distribution when using Hirshfeld charges. The main reason for the discrepancy was found to be the incorrect charge assignment given by QEq to the sulfur and alpha-carbon atoms in thiophenes, and highlight the relevance of long-range interactions in the organization of molecular films. (C) 2009 Elsevier B.V. All rights reserved.

Classical strings in AdS(4) x CP(3) with three angular momenta

In this paper, rotating strings in three directions of AdS(4) x CP(3) geometry are studied; its divergent energy limit, and conserved charges are also determined. An interpretation of these configurations as either giant magnons or spiky strings is discussed.

Ground-state energy of a classical artificial molecule

We study the ground-state energy of a classical artificial molecule formed by two-dimensional clusters (artificial atoms) of N/2 charged particles separated by a distance d. For the small molecules of N = 2 and 4, we obtain analytical expressions for this energy. For the larger ones, we calculate the ground-state energy using molecular dynamics simulation for N up to 128. From our numerical results, we are able to find out a function to approximate the ground-state energy of the molecules covering the range from atoms to molecules for any inter-atom distance d and for particle number from N = 8 to 128 within a difference less than one percent from the MD data.

Classical integrable super sinh-Gordon equation with defects

The introduction of defects is discussed under the Lagrangian formalism and Backlund transformations for the N = 1 super sinh-Gordon model. Modified conserved momentum and energy are constructed for this case. Some explicit examples of different Backlund soliton solutions are discussed. The Lax formulation within the space split by the defect leads to the integrability of the model and henceforth to the existence of an infinite number of constants of motion.

Flat currents in the classical AdS(5) x S-5 pure spinor superstring

It is proven that the classical pure spinor superstring in an AdS(5) X S-5 background has a flat current depending on a continuous parameter. This generalizes the recent result of Bena, et at. for the classical Green-Schwarz superstring.

Loss of superfluidity in a Bose-Einstein condensate on an optical lattice via a novel classical phase transition

We predict the loss of superfluidity in a Bose-Einstein condensate (BEC) trapped in a combined optical and axially-symmetric harmonic potentials during a resonant collective excitation initiated by a periodic modulation of the atomic scattering length a, when the modulation frequency equals twice the radial trapping frequency or multiples thereof. This classical dynamical transition is marked by a loss of superfluidity in the BEC and a subsequent destruction of the interference pattern upon free expansion. Suggestion for future experiment is made. (C) 2003 Elsevier B.V. B.V. All rights reserved.

Finite-volume form factors in semi-classical approximation

A semi-classical approach is used to obtain Lorentz covariant expressions for the form factors between the kink states of a quantum field theory with degenerate vacua. Implemented on a cylinder geometry it provides an estimate of the spectral representation of correlation functions in a finite volume. Illustrative examples of the applicability of the method are provided by the sine-Gordon and the broken phi(4) theories in 1 + 1 dimensions. (C) 2003 Elsevier B.V. All rights reserved.

Dynamical classical superfluid-insulator transition in a Bose-Einstein condensate on an optical lattice

We predict a dynamical: classical superfluid-insulator transition in a Bose-Einstein condensate (BEC) trapped in combined optical and axially symmetrical harmonic potentials initiated by the periodic modulation of the radial trapping potential. The transition is marked by a loss of phase coherence in the BEC and a subsequent destruction of the interference pattern upon free:expansion. For a weak modulation of the radial potential the phase coherence is maintained. For a stronger modulation and a longer holding time in the modulated trap, the phase coherence is destroyed thus signalling a classical superfluid-insulator transition. The results are illustrated by a complete numerical solution of the axially symmetrical mean-field Gross-Pitaevskii equation for a repulsive BEC. Suggestions for future experimentation are-made.