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Analytical Two-valued Potential Energy Functions for the Ground State Surfaces of CO2 and CS2

S. Carter ; Department of Chemistru University of Reading Reading RG6 2AD England
J. N. Murrell ; School of Molecular Sciences University of Sussex Bringhton BN1 9QJ England

Puni tekst: engleski pdf 4.876 Kb

str. 355-365

preuzimanja: 214



A potential model for two-valued triatomic surfaces is
reviewed with reference to the ground state potentials O·f
02(X11;g+) and CS2(X11:g+) . A comparison is made between the
observed J = O vibrational spectra and those calculated from
the derived potentia1ls by a variational method. For C02 the
strong Fermi-resonance in the (10"0) and (02°0) vibrational states
is confirmed for the first time using a full three-dimensional
potential and a complete vibrational hamiltonian.

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