Erratum: Quantum transition-state theory below the crossover temperature
نویسندگان
چکیده
منابع مشابه
Erratum: Scaling theory for the glass transition
Many of the concepts in the paper are elaborations of ideas explained to Sethna by Daniel Fisher in a conversation several years ago. This includes the scaling ideas, the renormalization-group analogies with the random-field Ising model, and the estimate of the barrier height growth. I should also make clear that the method of plotting the scaled viscosities shown in Fig. 4 is from C. Austin An...
متن کاملSuperconductivity: the transition temperature peak below four electrons per atom.
It is shown that the superconducting transition temperature for compounds in seven different structure types exhibits a peak at about 3.7 to 3.9 valence electrons per atom.
متن کاملQuantum mechanical transition state theory and tunneling corrections
An efficient implementation of the quantum mechanical transition state theory recently proposed by Hansen and Andersen @J. Chem. Phys. 101, 6032 ~1994!; J. Phys. Chem. 100, 1137 ~1996!# is presented. Their method approximates the flux–flux autocorrelation function by using short-time information to fit an assumed functional form ~with physically correct properties!. The approach described here ...
متن کاملGeneralized path integral based quantum transition state theory
A theory for calculating rates of transitions in quantum systems is presented and applied to desorption of H from a 2 Ž . Cu 110 surface. The quantum transition state is defined as a conical dividing surface in the space of closed Feynman paths and a ‘reaction coordinate’ in this extended space is used to parametrize a reversible work evaluation of the free energy barrier. In a low temperature,...
متن کاملVariational Transition State Theory
Transition state theory (TST) 1 is the most widely used theory for calculating rates of bimolecular eactions occurring in the gas phase and in condensed phases. TST is also incorporated into the widely used RRKM theory for unimolecular reactions. The popularity of TST is largely due to its simplicity and its usefulness for correlating trends in reaction rates in terms of easily interpreted quan...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Physical Review E
سال: 1996
ISSN: 1063-651X,1095-3787
DOI: 10.1103/physreve.54.2174