More than 30 years ago Nicholas Handy introduced the determinant full configuration interaction algorithm which provided the first exact benchmark calculations on molecules in small basis sets. Here I will discuss how advances in arbitrary-order, explicit, and local correlation methods now allow 'exact calculations' without basis set error both on the ground- and excited states of small molecules as well as molecular crystals.

Benchmark and exact calculations from molecules to crystals: 30 years since determinantal full CI

248th National Meeting (2014)

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