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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).
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.
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.
An extensive property is a physical quantity whose value is proportional to the size of the system it describes, [8] or to the quantity of matter in the system. For example, the mass of a sample is an extensive quantity; it depends on the amount of substance.
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 ...
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For comparing significance tests, a meaningful measure of efficiency can be defined based on the sample size required for the test to achieve a given task power. [14] Pitman efficiency [15] and Bahadur efficiency (or Hodges–Lehmann efficiency) [16] [17] [18] relate to the comparison of the performance of statistical hypothesis testing procedures.
The order of consistency strength is not necessarily the same as the order of the size of the smallest witness to a large cardinal axiom. For example, the existence of a huge cardinal is much stronger, in terms of consistency strength, than the existence of a supercompact cardinal , but assuming both exist, the first huge is smaller than the ...