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Scaled all correlation

There are a few other correction procedures that may be considered as extrapolation schemes. The Scaled External Correlation (SEC) and Scaled All Correlation (SAC) metiiods scale tire correlation energy by a factor such that calculated dissociation energy agrees with the experimental value. [Pg.169]

An alternative approach to the calculation of accurate thermochemical data is to scale the computed correlation energy with multiplicative parameters determined by fitting to the experimental data. Pioneering methods using such an approach include the scaling all correlation (SAC) method of Gordon and Truhlar [32], the parameterized correlation (PCI-X) method of Siegbahn et al. [33], and the multi-coefficient correlation methods (MCCM) of Truhlar et al. [34-36]. Such methods can be used... [Pg.77]

Tratz, C. M., Fast, P. L., and Truhlar, D. G. 1999. Improved Coefficients for the Scaling All Correlations and Multi-coefficient Correlation Methods Phys. Chem. Comm., 14. [Pg.231]

M. S. Gordon and D. G. Truhlar, /. Am. Chem. Soc., 108, 5412 (1986). Scaling All Correlation Energy in Perturbation Theory Calculations of Bond Energies and Barrier Heights. [Pg.207]

Saddle optimization, 329 Scalar relativistic corrections, 209 Scaled External Correlation (SEC), Scaled All Correlation (SAC) models, 169 Scaling of different methods with basis set, 145 Schrodinger equation, 2, 53 Schwarz inequality, for integral screening, 78 Second quantization, 411 Second-order corrections, in perturbation methods, 126... [Pg.222]


See other pages where Scaled all correlation is mentioned: [Pg.153]    [Pg.155]    [Pg.238]    [Pg.223]    [Pg.177]    [Pg.92]    [Pg.153]    [Pg.155]   
See also in sourсe #XX -- [ Pg.219 , Pg.221 ]




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Correlation scaling

Scale all

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