Construct · 1 fields · 1 citations

extended Hückel method: a standalone construct

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extendedHückel method1 CONSTRUCTExtended Hückel methodHOFFMANN · QUANTUM CHEMISTRY

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Quantum chemistry

a semiempirical molecular orbital method that includes all valence orbitals and overlap, with off-diagonal terms estimated from ionization energies.

In quantum chemistry, extended Hückel method refers to a semiempirical molecular orbital method that includes all valence orbitals and overlap, with off-diagonal terms estimated from ionization energies. This meaning comes from Hoffmann (1963) in The Journal of Chemical Physics.[1]

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orbital1 fields · 1 citationsanchor · one construct, one fieldquantum4 fields · 7 citationsjingle · one word, four constructsvalence3 fields · 6 citationsjingle · one word, three constructs

References

  1. Hoffmann, R. (1963). An Extended Hückel Theory. I. Hydrocarbons. The Journal of Chemical Physics, 39(6), 1397-1412. https://doi.org/10.1063/1.1734456

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