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Extrapolation may also mean extension of a method, assuming similar methods will be applicable. Extrapolation may also apply to human experience to project, extend, or expand known experience into an area not known or previously experienced.
DIIS was developed by Peter Pulay in the field of computational quantum chemistry with the intent to accelerate and stabilize the convergence of the Hartree–Fock self-consistent field method. [ 1 ] [ 2 ] [ 3 ]
Standard addition involves adding known amounts of analyte to an unknown sample, a process known as spiking.By increasing the number of spikes, the analyst can extrapolate for the analyte concentration in the unknown that has not been spiked. [2]
The Theory of Functional Connections (TFC) is a mathematical framework specifically developed for functional interpolation.Given any interpolant that satisfies a set of constraints, TFC derives a functional that represents the entire family of interpolants satisfying those constraints, including those that are discontinuous or partially defined.
Semi-empirical quantum chemistry methods Møller–Plesset perturbation theory Configuration interaction Coupled cluster Multi-configurational self-consistent field Quantum chemistry composite methods Quantum Monte Carlo: Density functional theory; Time-dependent density functional theory Thomas–Fermi model Orbital-free density functional theory
Also acid ionization constant or acidity constant. A quantitative measure of the strength of an acid in solution expressed as an equilibrium constant for a chemical dissociation reaction in the context of acid-base reactions. It is often given as its base-10 cologarithm, p K a. acid–base extraction A chemical reaction in which chemical species are separated from other acids and bases. acid ...
By definition, it is the amount of energy gained by the charge of a single electron moved across an electric potential difference of one volt. electronegativity A chemical property that describes the tendency of an atom or a functional group to attract electrons (or electron density) towards itself. electronics
The standard state of a material (pure substance, mixture or solution) is a reference point used to calculate its properties under different conditions.A degree sign (°) or a superscript Plimsoll symbol (⦵) is used to designate a thermodynamic quantity in the standard state, such as change in enthalpy (ΔH°), change in entropy (ΔS°), or change in Gibbs free energy (ΔG°).