Benchmark correlation energies for small molecules

O'Neill, Darragh P; Gill, Peter

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Benchmark correlation energies for small molecules

Date

2005

Authors

O'Neill, Darragh P

Gill, Peter

Publisher

Taylor & Francis Group

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.