Big Chemical Encyclopedia

Chemical substances, components, reactions, process design ...

Articles Figures Tables About

Interpolated optimized corrections method

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]


See other pages where Interpolated optimized corrections method is mentioned: [Pg.18]    [Pg.44]    [Pg.115]    [Pg.44]    [Pg.261]    [Pg.67]    [Pg.130]    [Pg.138]    [Pg.30]   
See also in sourсe #XX -- [ Pg.200 ]




SEARCH



Interpol

Interpolate

Interpolative method

Optimal interpolation

Optimization interpolation

Optimization methods

Optimized method

© 2024 chempedia.info