Intermolecular Forces and Generalized Response Functions in Liouville Space
Consider two interacting sub-systems with nonoverlapping charge distributions. How can the properties of the combined system be expressed in terms of properties of the individual sub-systems alone? This general problem appears in a wide variety of physical, chemical, and biological systems [Joester 2003, Stone 1996, Moore 2001]. In this chapter we provide a prescription for addressing this issue by the computation of (i) response functions and (ii) correlation functions of spontaneous fluctuations of relevant degrees of freedom in the individual sub-systems.
KeywordsDensity Matrix Intermolecular Force External Potential Individual Molecule Interaction Picture
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