Calculation of average distance and amplitude parameters for linear symmetric triatomic molecules in the ground and low-lying excited vibrational statesстатья
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Дата последнего поиска статьи во внешних источниках: 27 мая 2015 г.
Аннотация:Using the effective harmonic oscillator (EHO) method the average distance and amplitude parameters for CO2 and CS2 in the ground and several low-lying excited vibrational states have been estimated from the spectroscopic force fields. For reference, similar calculations were also performed by a perturbation theory of first- and second-order. In calculations due account was given for anharmonicity and nonlinearity in transformations between internal distances and normal coordinates. The trends exhibited by calculated quantities are discussed and the behaviour of CO2 and CS2 upon increasing the excitation within the individual modes is considered.