The random phase approximation (RPA) is the simplest non-empiricaldensity functional that captures the physics of dispersioninteractions and can be widely applied. I will review recent progressin RPA-type methods and present an efficient implementation of RPAanalytical derivatives making geometry optimizations possible forsystems with over 100 atoms. Illustrative applications will includeenergetics, structures, and electrostatic properties of weakly boundcomplexes. In addition, I will present results for systems with strongintramolecular dispersion, including transition metal complexes withbulky ligands and small gaps. Finally, I will discuss avenues tofurther improvements beyond RPA.

Dispersion without fits

245th National Meeting (2013)

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