The transfer of molecular energies by collision recent quantum treatments gianturco f a
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The kind patience of my wife Carolyn in reading the whole manuscript and improving its form is gratefully acknowledged. The H2 - He relaxations and other examples. Rotovibrational Relaxation Models in Simple Gases. A total of 650 nuclear geometries has been considered which makes the new surface appropriate not only for scattering calculations, but also for the evaluation of the vibrational—rotational spectrum of the H3+ molecule. This surface is suitable for studying spectroscopy, high-lying bound states and reaction dynamics.

The distorted wave approximations -- 4. Nonempirical electronic structure calculations have been carried out on the two lowest 1A1 states of H 3+. Agreement is good for the complete potential but poor when only its spherical part is used, so that one should never attempt to treat this system with a spherical model. The Born appro~imation 18 1. The H2 -- He relaxations and other examples -- References.

We conclude that H3+ has its potential minimum in an equilateral geometry with bond distances of 1. The Born appro~imation 18 1. The rotational behaviour of molecules. The method of partial waves -- 1. The energy switching approach is used to combine different functional forms for three different energy regimes.

Potential Energy Hypersurface Calculations for Simple Systems -- 2. General formulation of the problem Page 5 1. The results for the complementary charge transfer processes are also presented at these energies. The ground state surface should provide a suitable starting point for renewed studies of the near-threshold photodissociation spectrum originally reported by Carrington et al. The kind patience of my wife Carolyn in reading the whole manuscript and improving its form is gratefully acknowledged. The general characteristics of the scattering processes can be described by the semiclassical theory of Giese and Gentry.

The nature of this avoided intersection is examined by means of potential curves, contour diagrams, and perspective plots. Venerdi 4 Dicembre - Aula 131 - piano terra - Ed. Rotational excitation in atom-molecule collision: the helicity representation. Nonadiabatic transitions along the potential crossing seam cause deviations from the statistical behavior and some interesting dynamical features are found. In a crossed-beam experiment the vibrational excitation of H2 by proton impact has been measured at a scattering angle of 0 degrees angular resolution +or-0. We consider the influence on plasma recombination of the formation of negative and molecular ions in a divertor plasma.

The infrared spectra thus reproduced is within 1 cm 1 with respect to the experimental values for several transitions. Connections between simple scattering amplitude formulas, choice of average partial wave parameter, and magnetic transitions are reviewed. The measured energy dependences of the differential cross sections for all four vibrational transitions are characterised by an oscillatory behaviour superimposed on a linearly rising function. While the truncated calculation overestimate the exact integral cross sections they reproduce the features of the integral cross section very well. Properties of the S-matrix: bound states and resonances. The collision problem to be solved is reduced to a one-dimensional Schrödinger equation with respect to the intermolecular radial distance. The spectroscopy of the system has been the subject of intensive work in the past.

General formulation of the problem Page 5 1. An outline of experiments -- 6. For this system, quantum and semiclassical results are in good agreement even at low collision kinetic energies. Besides all these questions, in this work, we review some of the most relevant aspects regarding the dynamics of the H+ + H2 reaction and its isotopic variants. Some approximate treatments 68 2.

Simple procedures for calculating cross sections for specific transitions are discussed and many older model formulas are given clear derivations. The excellent agreement with experiment is an encouraging indication of the potential usefulness of this approach. The methods of piecewise analytic solutions. The possible reason for discrepancies and the likely ways to improve the results are discussed in terms of the inclusion of higher excited electronic states into the dynamics calculation. Correlation consistent sets are given for all of the atoms considered. General development of a priori method. Implications for observing photodissociation of H+ 3 are discussed.