ORDER, DISORDER, AND CLUSTERING IN ROTOR SPECTRA: A COMPARISON OF SPHERICAL AND ASYMMETRIC TOP $DYNAMICS.^{*}$
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Date
1983
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Ohio State University
Abstract
The techniques used to elucidate spherical top spectral clustering $effects^{1}$ can be applied to other types of polyatomic molecules including those of low symmetry. Dynamical effective energy $surfaces^{2,3}$, can be drawn using the molecular constants in a general rotor Hamiltonian, and the surfaces can be used to calculate and understand the spectra and dynamics of the rotors. Spectral clustering effects such as rotational mixing of nuclear spin species are possible in asymmetric top $XY_{2}$ molecules as well as in the spherical tops $XY_{4}$ and $XY_{6}.^{1,3,4}$ The energy surfaces provide simple ways to calculate, predict, or rule out many such effects for a wide range of molecular species. We hope to show these surfaces in 3-D. $^{*}$Research supported in part by NSF grant PHY-8207150. $^{1}$W. G. Harter, C. W. Patterson, and F. J. daPaixao, Rev. Mod. Phys. 50, 37(1978). $^{2}$W. G. Harter and C. W. Patterson, J. Math. Phys. 20, 1453(1979). $^{3}$W. G. Harter, Phys. Rev. A24, 192(1981). $^{4}$J. Bord\’e, Ch. J. Bord\’e, C. Salomon, A. Van Lerberghe, M. Ouhayoun, and C. D. Cantrell, Phys. Rev. Lett. 45, 14(1980).
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Author Institution: Physics Department, Georgia Institute of Technology Atlanta; University of California, Los Alamos National Laboratory Theoretical Division Los Alamos