Thermodynamic properties, quantum fluids methods

The determination of dense fluid properties from ab initio quantum mechanical calculations still appears to be some time from practical completion. Molecular dynamics and Monte Carlo calculations on rigid body motions with simple interacting forces have qualitatively produced all of the essential features of fluid systems and quantitative agreement for the thermodynamic properties of simple pure fluids and their mixtures. These calculations form the basis upon which perturbation methods can be used to obtain properties for polyatomic and polar fluid systems. All this work has provided insight for the development of the principle of corresponding state methods that describe the properties of larger molecules. 

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