Abstract
The methods of multichannel collision theory are used to introduce a yield operator Y which is an observable that determines the rate and yield of a reaction. When the reactants are characterized by a statistical operator U 0, the reaction rate can be written as Tr (U0Y)/Tr (U 0). By using Heisenberg's equation of motion it is possible to extend the formalism by introducing a yield operator YA that determines the rate of change of any measurable operator A in a system undergoing reactions. It is suggested to base semiempirical theories on approximations to the yield operator. Towards this aim the Arrhenius parameterization of the rate of thermal bimolecular reactions is discussed, and alternative forms for the yield operator are exhibited.
Original language | English |
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Pages (from-to) | 1235-1247 |
Number of pages | 13 |
Journal | The Journal of Chemical Physics |
Volume | 47 |
Issue number | 4 |
DOIs | |
State | Published - 1967 |
Externally published | Yes |