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Interpolated optimized corrections

The interpolated optimized corrections (IOC) method " uses HE energies, gradients, and Hessians at the high-level stationary points to improve the quality of a Vmep and of frequency and moment of inertia profiles originally calculated at EE. [Pg.200]

The interpolated optimized energies (lOE) scheme " is like the IOC scheme except that the frequencies are not corrected at the higher level. Although the lOE method only uses high-level data at the stationary points. [Pg.202]

In general, this interpolative result is not identical with the rigorous result. Nevertheless, as we shall see in later sections, the information theory result often is in good agreement. Needless to say it would be better to use an optimization procedure which would simultaneously satisfy the moment theorems and give the correct A (0), but we have not been able to devise such a procedure. [Pg.60]


See other pages where Interpolated optimized corrections is mentioned: [Pg.200]    [Pg.200]    [Pg.18]    [Pg.44]    [Pg.115]    [Pg.19]    [Pg.1078]    [Pg.44]    [Pg.261]    [Pg.204]    [Pg.67]    [Pg.714]    [Pg.1643]    [Pg.130]    [Pg.211]    [Pg.1006]    [Pg.138]    [Pg.336]    [Pg.30]    [Pg.529]   


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