Thermodynamic integration with harmonic reference
The Helmholtz free energy () of a fully interacting system (1) can be expressed in terms of that of harmonic system (0) as follows
:
where is anharmonic free energy. The latter term
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The Helmholtz free energy () of a fully interacting system (1) can be expressed in terms of that of harmonic system (0) as follows
:
where is anharmonic free energy. The latter term