Vibrational predissociation of the van der Waals complex Ne I₂ (<i>B</i>). A quasiclassical approach

Abstract

Abstract We study the vibrational predissociation of the van der Waals molecule Ne ⃛ I 2 ( B 3 π) by using a quasiclassical trajectory method. The potential energy surface assumed was a simple sum of pairwise atom–atom interactions. According to approximate quantal calculations, the necessary initial conditions were obtained and the relevant Hamilton equations were numerically solved. In the range of initial vibrational excitations of I 36 ⩽ v ⩽ 56, two crossover levels are found, which are reflected in the vibrational distributions of the diatomic fragment as in the halfwidth Γ for vibrational predissocoiation. Our present results for Ne ⃛ I 2 ( B ) are in agreement with the so‐called “energy gap law” when compared with similar ones for He ⃛ I 2 ( B ).