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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.
Replication in statistics evaluates the consistency of experiment results across different trials to ensure external validity, while repetition measures precision and internal consistency within the same or similar experiments. [5] Replicates Example: Testing a new drug's effect on blood pressure in separate groups on different days.
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.
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 ...
Constraints may involve institutional review boards, informed consent and confidentiality affecting both clinical (medical) trials and behavioral and social science experiments. [42] In the field of toxicology, for example, experimentation is performed on laboratory animals with the goal of defining safe exposure limits for humans . [ 43 ]
The history of scientific method considers changes in the methodology of scientific inquiry, not the history of science itself. The development of rules for scientific reasoning has not been straightforward; scientific method has been the subject of intense and recurring debate throughout the history of science, and eminent natural philosophers and scientists have argued for the primacy of ...
There is also a lot of discussion about scientific modelling in the philosophy-of-science literature. A selection: Rainer Hegselmann, Ulrich Müller and Klaus Troitzsch (eds.) (1996). Modelling and Simulation in the Social Sciences from the Philosophy of Science Point of View. Theory and Decision Library. Dordrecht: Kluwer. Paul Humphreys (2004).
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