Added extra basis set update info.

This commit is contained in:
Bert de Jong 2000-06-08 23:30:42 +00:00
parent 1873c11ed3
commit efc6f369df

View file

@ -52,6 +52,11 @@ Basis Sets:
o Basis set library has been updated to include all new basis sets at the EMSL
Gaussian Basis Set Order Form page of David Feller
(http://www.emsl.pnl.gov:2080/forms/basisform.html)
o Some of the old basis sets were corrected:
Basis Set "Ag_Hay-Wadt_VDZ_(n+1)_ECP", correction coefficient in first s-contraction
Basis Set "Ag_LANL2DZ_ECP", correction coefficient in first s-contraction
Complete Basis Set Family "CRENBS_ECP", complete revision of all basis sets
ECP "Ce_SBKJC_VDZ_ECP", correction switched integer powers for d-f component
o Relativistic contractions of the cc-pvnz, n = 2--5, basis sets for the
Douglas-Kroll and DmD approximations.
o Dyall double-zeta basis sets for the 4p, 5p and 6p elements added