Abstract
Defining the microcanonical temperature as a kinetic energy which maximizes a phase space distribution projected onto the potential energy coordinate, it is shown that this temperature can characterize a time scale of structural isomerization dynamics in the liquid like phase. In particular, it was found that the local microcanonical temperature bears an Arrhenius-type relation to the inverse of the average lifetime in isomerization of M7 clusters. Thus, with this temperature one can extract critical information hidden behind the stepwise fluctuation of the kinetic energy of a trajectory in an isomerization process. A possible origin of the Arrhenius-type relation is explored.
Original language | English |
---|---|
Pages (from-to) | 2552-2562 |
Number of pages | 11 |
Journal | Journal of Chemical Physics |
Volume | 113 |
Issue number | 7 |
DOIs | |
Publication status | Published - 2000 Aug 15 |
Externally published | Yes |
ASJC Scopus subject areas
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry