Abstract
We optimized the coefficients for 11 multi-coefficient correlation methods (MCCMs) against 54 atomization energies for molecules composed of C, H, and O atoms and containing 343 bonds. The methods included two scaling-all-correlation (SAC) methods, a multi-coefficients SAC (MCSAC) method, three Utah methods, two Colorado methods, MC-QCISD, MCG3, and G3S. The mean unsigned errors are (on average) 36% lower than for calculations with general parameters. The mean unsigned error per bond for the most highly recommended methods is only 0.1 -0.2 kcal/mol.
| Original language | English (US) |
|---|---|
| Pages (from-to) | 4143-4149 |
| Number of pages | 7 |
| Journal | Journal of Physical Chemistry A |
| Volume | 105 |
| Issue number | 16 |
| DOIs | |
| State | Published - Apr 26 2001 |