Adiabatic connection principle

Exchange identities utilizing the principle of adiabatic connection and coordinate scaling and a generalized Koopmans theorem were derived and the excited-state effective potential was constructed [65]. The differential virial theorem was also derived for a single excited state [66]. 

The first-principle method is being developed for systems with long-range dispersion forces. There are two ways to include dispersion forces in first-principle calculations. A semiempirical van der Waals interaction can be taken into account in ab initio calculations. It is realized by using the Lenard-Jones potential of the form (11.26). The second approach is based on the adiabatic connection fluctuation-dissipation theorem. This theory includes seamless long-range dispersion forces... 

The Variational Principle The Hohenberg-Kohn Theorems The Adiabatic Connection Formula Reference... 

We have also pointed out here the formal connection between our formalism and the existing numerical algorithms in special cases (CP-algorithm and time-dependent optimized potential) as well as avenues to go beyond these to include non-adiabatic processes. It should be stressed that unlike the existing theories, our framework is based on a stationary action principle, which facilitates incorporation of the initial constraint of thermodynamic equilibrium. This development is made feasible by working in a superspace formalism. This work thus provides a practical theoretical framework for studying the non-equilibrium statistical mechanics of systems initially in thermodynamic equilibrium. 

One may have some apprehensions for a fact that this device is lacking in the adiabatic control. In this connection, it is mentioned in Section 4.1 that it is also possible, in principle, to perform the adiabatic self-heating test for a chemical of the AC type, including every powdery chemical of the quasi-AC type, confined in the closed cell by means of the adiabatic self-heating process recorder. 

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