Construct · 1 fields · 1 citations

correlation-consistent basis sets: a standalone construct

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Quantum chemistry

families of Gaussian basis sets built so that each step in size recovers a similar share of correlation energy, allowing systematic convergence.

In quantum chemistry, correlation-consistent basis sets refers to families of Gaussian basis sets built so that each step in size recovers a similar share of correlation energy, allowing systematic convergence. This meaning comes from Dunning (1989) in The Journal of Chemical Physics.[1]

Unit
Recovery means
Measured by

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Nearby constructs

basis3 fields · 5 citationsjingle · one word, three constructs convergence4 fields · 4 citationsjingle · one word, four constructs correlation4 fields · 4 citationsjingle · one word, four constructs

References

Dunning, T. H. (1989). Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen. The Journal of Chemical Physics, 90(2), 1007-1023. https://doi.org/10.1063/1.456153

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