SAM1 

Description

M.J.S. Dewar’s new SAM1 (Semi-ab initio method, Version 1) method will be used for calculation. See Chapter 3, Semiempirical Methods and Parameters for a discussion of the theoretical basis of SAM1.

See Table 3.2, “Elemental Parameter Sets for all methods (except MINDO3)” for a list of elements that have parameters for SAM1, as well as for other semiempirical methods. A parameter for the element Cu was missing in previous versions of AMPAC was incorrectly set but has been correct in AMPAC 9. For backward compatability with these older versions, use CU-OLDSAM1.

See also:

AM1, AM1-D3H4, AM1-FS2, MINDO3, MNDO, MNDOC, MNDOD, PM3, PM3-D3H4, PM6, PM6-D3H4, RM1, RM1-D3H4, SAM1D