Thermodynamic integration with harmonic reference: Difference between revisions
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The Helmholtz free energy (<math>A</math>) of a fully interacting system (1) can be expressed in terms of that of harmonic system (0) as follows | The Helmholtz free energy (<math>A</math>) of a fully interacting system (1) can be expressed in terms of that of harmonic system (0) as follows | ||
:<math> | |||
A_{1} = A_{0} + \Delta A_{0\rightarrow 1} | A_{1} = A_{0} + \Delta A_{0\rightarrow 1} | ||
</math> | </math> | ||
where <math>\Delta A_{0\rightarrow 1}</math> is anharmonic free energy. The latter term | where <math>\Delta A_{0\rightarrow 1}</math> is anharmonic free energy. The latter term | ||
Revision as of 07:31, 1 November 2023
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