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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).
If the system is divided by a wall that is permeable to heat or to matter, the temperature of each subsystem is identical. Additionally, the boiling temperature of a substance is an intensive property. For example, the boiling temperature of water is 100 °C at a pressure of one atmosphere, regardless of the quantity of water remaining as liquid.
A physical property is any property of a physical system that is measurable. [1] The changes in the physical properties of a system can be used to describe its changes between momentary states. A quantifiable physical property is called physical quantity. Measurable physical quantities are often referred to as observables.
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.
Water (H 2 O) is a polar inorganic compound that is at room temperature a tasteless and odorless liquid, which is nearly colorless apart from an inherent hint of blue.It is by far the most studied chemical compound [20] and is described as the "universal solvent" [21] and the "solvent of life". [22]
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.
A material property is an intensive property of a material, i.e., a physical property or chemical property that does not depend on the amount of the material. These quantitative properties may be used as a metric by which the benefits of one material versus another can be compared, thereby aiding in materials selection.
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