Classical trajectory studies of collisional energy transfer

Abstract

Abstract The theoretical foundations, the methodology and applications of classical mechanical trajectory calculations of the characteristics of collisional energy transfer from highly vibrationally excited molecules are reviewed. Details of selecting initial collisions and of the evaluation of outcomes as well as the determination of the maximum impact parameter necessary for converged energy transfer properties are presented. Emphasis is placed on the properties unequivocally determined by classical trajectory calculations: the rate coefficients of inelastic collisions corresponding to various amounts of energy transferred, as well as the product of the average energy transferred per collision and the hard-sphere collision rate coefficient. Derivation and interpretation of secondary quantities such as energy transfer probability distributions as well as the question of the quasi-elastic peak are discussed. Numerous applications are reviewed, classified according to the number of atoms in the relaxing hot molecule and in the collision partner.