Benchmark correlation energies for small molecules
Authors:
Darragh P. O'eill a;
Peter M. W. Gill a
| Affiliation: | a School of Chemistry, University of Nottingham, Nottingham NG7 2RD, UK |
DOI:
10.1080/00268970512331339323
Publication Frequency:
24 issues per year
Subjects:
Atomic & Nuclear Physics;
Chemical Physics;
Group Theory;
Mathematical Physics;
Physical Chemistry;
Quantum Mechanics;
Theoretical Physics;
Thermodynamics & Kinetic Theory;
Number of References: 28
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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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