T - IfB
T - IfB
T - IfB
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Canonical EnsembleTill now we considered constant energyand constant volume, i.e. we workedin the microcanonical ensemble.Most commonly, however, experimentsare performed at constant temperature,i.e. in the canonical ensemble. That meansthat the system is coupled to a heat bath.113Canonical EnsembleVarious methods:• Rescaling of velocity• Introduce a constraint (Hoover)• Thermostat (Nosé – Hoover)• Stochastic method (Andersen)114