Microcanonical ensemble: Difference between revisions
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== References == | == References == | ||
# D. Frenkel and B. Smit, "Understanding Molecular Simulation: From | # D. Frenkel and B. Smit, "Understanding Molecular Simulation: From Algorithms to Applications", Academic Press |
Revision as of 11:26, 27 February 2007
Microcanonical Ensemble (Clasical statistics):
Ensemble variables
(One component system, 3-dimensional system, ... ):
- : Number of Particles
- : Volumne
- : Internal enerrgy (kinetic + potential)
Partition function
where:
- is the Planck constant
- represents the 3N Cartesian position coordinates.
- represents the 3N momenta.
- represent the Hamiltonian, i.e. the total energy of the system as a function of coordinates and momenta.
- is the Dirac delta function
References
- D. Frenkel and B. Smit, "Understanding Molecular Simulation: From Algorithms to Applications", Academic Press