Nose-Hoover thermostat

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In the approach by Nosé and Hoover[1][2][3] an extra degree of freedom is introduced in the Hamiltonian. The heat bath is considered as an integral part of the system and has a fictious coordinate [math]\displaystyle{ s }[/math] which is introduced into the Lagrangian of the system. This Lagrangian for an [math]\displaystyle{ N }[/math] is written as

[math]\displaystyle{ \mathcal{L} = \sum\limits_{i=1}^{N} \frac{m_{i}}{2} s^{2} \mathbf{r}_{i}^{2} }[/math]

References