Construct · 1 fields · 1 citations

Gaussian-n theory: a standalone construct

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Quantum chemistry

composite quantum chemical recipes that combine several calculations and empirical corrections to approximate high-level thermochemical energies.

In quantum chemistry, Gaussian-n theory refers to composite quantum chemical recipes that combine several calculations and empirical corrections to approximate high-level thermochemical energies. This meaning comes from Curtiss (1991) in The Journal of Chemical Physics.[1]

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Nearby constructs

composite2 fields · 2 citationsjingle · one word, two constructs quantum4 fields · 7 citationsjingle · one word, four constructs

References

Curtiss, L. A., Raghavachari, K., Trucks, G. W., & Pople, J. A. (1991). Gaussian-2 theory for molecular energies of first- and second-row compounds. The Journal of Chemical Physics, 94(11), 7221-7230. https://doi.org/10.1063/1.460205

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