Thermodynamic functions for vibronic systemsстатья
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Дата последнего поиска статьи во внешних источниках: 27 мая 2015 г.
Аннотация:A method is introduced which simplifies the derivation of equations for the calculation of statistical sums for vibronic systems. Within the “independent ordering approximation” analytical expressions are found for thermodynamic functions for molecules with degenerate electronic ground state (E−β and E − e types of degeneracies). Vibronic interactions are shown to yield an additional thermodynamic stabilization. The computations were carried out for VCl4 and VBr4 with doubly degenerate electronic ground states. For these molecules the effect is shown to be small.