Construct · 1 fields · 1 citations

Koopmans' theorem: a standalone construct

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Quantum chemistry

the approximation that ionization energies equal the negatives of the Hartree-Fock orbital energies.

In quantum chemistry, Koopmans' theorem refers to the approximation that ionization energies equal the negatives of the Hartree-Fock orbital energies. This meaning comes from Koopmans (1934) in Physica.[1]

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Nearby constructs

orbital1 fields · 1 citationsanchor · one construct, one field quantum4 fields · 7 citationsjingle · one word, four constructs

References

Koopmans, T. (1934). Über die Zuordnung von Wellenfunktionen und Eigenwerten zu den Einzelnen Elektronen Eines Atoms. Physica, 1(1-6), 104-113. https://doi.org/10.1016/s0031-8914(34)90011-2

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