Construct · 1 fields · 1 citations

coupled cluster: a standalone construct

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coupledcluster1 CONSTRUCTCoupled clusterČÍŽEK · COMPUTATIONAL

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Computational chemistry

electron correlation method writing the wavefunction as an exponential of excitation operators acting on a reference determinant, giving size-consistent energies.

In computational chemistry, coupled cluster refers to electron correlation method writing the wavefunction as an exponential of excitation operators acting on a reference determinant, giving size-consistent energies. This meaning comes from Čížek (1966) in The Journal of Chemical Physics.[1]

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Nearby constructs

cluster4 fields · 4 citationsjingle · one word, four constructscorrelation4 fields · 4 citationsjingle · one word, four constructsdeterminant3 fields · 5 citationsjingle · one word, three constructs

References

  1. Čížek, J. (1966). On the Correlation Problem in Atomic and Molecular Systems. Calculation of Wavefunction Components in Ursell-Type Expansion Using Quantum-Field Theoretical Methods. The Journal of Chemical Physics, 45(11), 4256-4266. https://doi.org/10.1063/1.1727484

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