Construct · 1 fields · 1 citations

effective core potential: a standalone construct

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Quantum chemistry

a replacement of an atom's inner electrons by an effective potential so that only valence electrons are treated explicitly, often including relativistic effects.

In quantum chemistry, effective core potential refers to a replacement of an atom's inner electrons by an effective potential so that only valence electrons are treated explicitly, often including relativistic effects. This meaning comes from Hay (1985) in The Journal of Chemical Physics.[1]

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Nearby constructs

potential4 fields · 4 citationsjingle · one word, four constructs quantum4 fields · 7 citationsjingle · one word, four constructs relativistic effects in chemistry1 fields · 1 citationsanchor · a standalone construct

References

Hay, P. J., & Wadt, W. R. (1985). Ab initio effective core potentials for molecular calculations. Potentials for the transition metal atoms Sc to Hg. The Journal of Chemical Physics, 82(1), 270-283. https://doi.org/10.1063/1.448799

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