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Multicoefficient correlation method

Dahlke EE, Orthmeyta- MA, Truhlar DG (2(X)8) Assessment of multicoefficient correlation methods. J Phys Chem B 112 2372-2381... [Pg.101]

Table 5 gives the errors for a DFT method, four hybrid DFT methods, and AMI. Although hybrid DFT is very affordable, it lacks the accuracy of multicoefficient semi-empirical methods based on explicitly correlated wave fiinctions. Nevertheless the mPWlPW91/MG3S and AMI methods have performance/cost characteristics that put them near the envelope of best performance in Figure 1. AMI is valuable for larger systems where the other methods in the figure are not affordable. [Pg.160]


See other pages where Multicoefficient correlation method is mentioned: [Pg.178]    [Pg.65]    [Pg.342]    [Pg.178]    [Pg.65]    [Pg.342]   
See also in sourсe #XX -- [ Pg.178 ]




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