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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.
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[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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The system + =, + = has exactly one solution: x = 1, y = 2 The nonlinear system + =, + = has the two solutions (x, y) = (1, 0) and (x, y) = (0, 1), while + + =, + + =, + + = has an infinite number of solutions because the third equation is the first equation plus twice the second one and hence contains no independent information; thus any value of z can be chosen and values of x and y can be ...
Eq. 2 is the cumulative Weibull distribution with scale parameter and shape parameter ; = [^ ()] = constant factor depending on the structure geometry, = structure volume; = relative (size-independent) coordinate vectors, ^ = dimensionless stress field (dependent on geometry), scaled so that the maximum stress be 1; = number of spatial ...