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  2. Size consistency and size extensivity - Wikipedia

    en.wikipedia.org/wiki/Size_consistency_and_size...

    In quantum chemistry, size consistency and size extensivity are concepts relating to how the behaviour of quantum-chemistry calculations changes with the system size. Size consistency (or strict separability) is a property that guarantees the consistency of the energy behaviour when interaction between the involved molecular subsystems is nullified (for example, by distance).

  3. Davidson correction - Wikipedia

    en.wikipedia.org/wiki/Davidson_correction

    Davidson correction improves both size consistency and size extensivity of CISD energies. [2] [4] Therefore, Davidson correction is frequently referred to in literature as size-consistency correction or size-extensivity correction. However, neither Davidson correction itself nor the corrected energies are size-consistent or size-extensive.

  4. Quadratic configuration interaction - Wikipedia

    en.wikipedia.org/wiki/Quadratic_configuration...

    Quadratic configuration interaction [1] (QCI) is an extension of configuration interaction [2] that corrects for size-consistency errors in single and double excitation CI methods (CISD). [ 3 ] Size-consistency means that the energy of two non-interacting (i.e. at large distance apart) molecules calculated directly will be the sum of the ...

  5. Coupled cluster - Wikipedia

    en.wikipedia.org/wiki/Coupled_cluster

    The choice of the exponential ansatz is opportune because (unlike other ansatzes, for example, configuration interaction) it guarantees the size extensivity of the solution. Size consistency in CC theory, also unlike other theories, does not depend on the size consistency of the reference wave function.

  6. Intensive and extensive properties - Wikipedia

    en.wikipedia.org/wiki/Intensive_and_extensive...

    [1] [2] According to International Union of Pure and Applied Chemistry (IUPAC), an intensive property or intensive quantity is one whose magnitude is independent of the size of the system. [3] An intensive property is not necessarily homogeneously distributed in space; it can vary from place to place in a body of matter and radiation.

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  8. Size extensivity - Wikipedia

    en.wikipedia.org/?title=Size_extensivity&redirect=no

    From Wikipedia, the free encyclopedia. Redirect page

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