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Benchmark correlation energies for small molecules

O'Neill, Darragh P; Gill, Peter


We present estimates of the exact correlation energies for 56 small molecules whose experimental atomization energies are known accurately. These should prove useful in the assessment and parameterization of new quantum chemical methods.

CollectionsANU Research Publications
Date published: 2005
Type: Journal article
Source: Molecular Physics
DOI: 10.1080/00268970512331339323


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