Comparative study of He_3,Ne,and Ar_3 using hyperspherical corrdinates

摘要

We calculate the L=0 ground and excited state energies for the rare gas trimers He_3, Ne_3,and Ar_3,An adiabatic representation is adopted to solve the nuclear Schrodinger equation, in which the Schrodinger equation in hyperangular coordinates is solved at a series of fixed hyper-radii using B splines. We compare results obtained in a strict adiabatic approximation with nonperturbative coupled-adiabatic-channel cacluations. Structural properties such as the pair and angle distributions are monitored as functions of the hyper-radius. These structural studies pinpoint the lofus of configurational changes that occur as the trimer fragments into a diatiom plus an aotm. Analysis of the angular channel functions and their associated radial components permits an approximate classification of the vibrational spectrum.