Approach to chemical equilibrium in thermal models
نویسندگان
چکیده
منابع مشابه
Approach to Thermal Equilibrium in Biomolecular Simulation
The evaluation of molecular dynamics models incorporating temperature control methods is of great importance for molecular dynamics practitioners. In this paper, we study the way in which biomolecular systems achieve thermal equilibrium. In unthermostatted (constant energy) and Nosé-Hoover dynamics simulations, correct partition of energy is not observed on a typical MD simulation timescale. We...
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We consider many-body quantum systems that exhibit quantum chaos, in the sense that the observables of interest act on energy eigenstates like banded random matrices. We study the time-dependent expectation values of these observables, assuming that the system is in a definite (but arbitrary) pure quantum state. We induce a probability distribution for the expectation values by treating the zer...
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Some aspects of behaviour of spins in the presence of random molecular motions are discussed. Various theories which deal with the approach of the spin system to thermal equilibrium are reviewed. It is emphasized that two types of description are used. One is the 'p(t) formalism', where the spin behaviour of one randomly moving molecule is considered. The other is the '(Q) formalism', where the...
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ژورنال
عنوان ژورنال: Physical Review C
سال: 1984
ISSN: 0556-2813
DOI: 10.1103/physrevc.29.967