Decay behavior of least-squares coefficients in auxiliary basis expansions.

Abstract

Many quantum chemical methods, both wave function and density based, rely on an expansion of elements of the electron density in an auxiliary basis. However, little is known about the analytical behavior of the expansion coefficients and, in particular, about their rate of decay with distance. We discuss an exactly solvable model system and characterize the… (More)

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Cite this paper

@article{Gill2005DecayBO, title={Decay behavior of least-squares coefficients in auxiliary basis expansions.}, author={Peter M. W. Gill and Andrew T. B. Gilbert and Stephen W. Taylor and Gero Friesecke and Martin Head-Gordon}, journal={The Journal of chemical physics}, year={2005}, volume={123 6}, pages={61101} }