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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).
The size-consistency and size-extensivity problems of truncated CI are alleviated but still exist. In small molecules, accuracy of the corrected energies can be similar to results from coupled cluster theory calculations. The Davidson correction does not give information about the wave function.
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.
Size consistency and size extensivity; Slater determinant; Slater integrals; Slater–Condon rules; Slater-type orbital; Slater's rules; Sonochemistry; Spherium; Spin contamination; Spin engineering; Spin transition; Spin-forbidden reactions; State-universal coupled cluster; STO-nG basis sets; Superatom; Symmetry-adapted perturbation theory
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