Electronic Resource
College Park, Md.
:
American Institute of Physics (AIP)
The Journal of Chemical Physics
113 (2000), S. 2145-2158
ISSN:
1089-7690
Source:
AIP Digital Archive
Topics:
Physics
,
Chemistry and Pharmacology
Notes:
We calculate the L=0 ground and excited state energies for the rare gas trimers He3, Ne3, and Ar3. An adiabatic representation is adopted to solve the nuclear Schrödinger equation, in which the Schrödinger 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 calculations. Structural properties such as the pair and angle distributions are monitored as functions of the hyper-radius. These structural studies pinpoint the locus of configurational changes that occur as the trimer fragments into a diatom plus an atom. Analysis of the angular channel functions and their associated radial components permits an approximate classification of the vibrational spectrum. © 2000 American Institute of Physics.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1063/1.482027
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