Benchmark correlation energies for small molecules

Author： O'eill Darragh P.   Gill Peter M. W.  

Publisher： Taylor & Francis Ltd

ISSN： 1362-3028

Source： Molecular Physics, Vol.103, Iss.6-8, 2005-03, pp. : 763-766

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Abstract

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.

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