Benchmark correlation energies for small molecules

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.

Acknowledgements

This research was partly supported by the Engineering and Physical Sciences Research Council through a project studentship (GR/R81121) to D.P.O. We would also like to thank the EPSRC for JREI funding for computer resources.

Notes

Present address: Research School of Chemistry, Australian National University, ACT 0200, Australia.

Additional information

Notes on contributors

Peter M. W. Gill *

Present address: Research School of Chemistry, Australian National University, ACT 0200, Australia.