Nose-Hoover thermostat

From VASP Wiki
Revision as of 08:32, 31 May 2019 by Karsai (talk | contribs)

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 which is introduced into the Lagrangian of the system. This Lagrangian for an is written as


References