ECPs in basis set synopsis

[Andreas Savin <CFAF ^at^ DS0RUS1I.bitnet>]

 Dear Dr. Labanowski,
 your summary about basis functions is very helpful. We would like
 to point out, however, that in the paragraph about ECPs there is
 a minor error. You state that core potentials can only be specified
 for filled shells. In fact, they can be also defined for open shell
 cores (see, for example, the pseudopotentials for the lanthanides,
 Dolg et al., Theor. Chim. Acta 75 (1989) 173 ).
 We would like to use this opportunity to point out that pseudopotentials
 and corresponding valence basis sets are available from us, not only
 for the lanthanides, but for all the elements up to Uranium. A
 comparison of our pseudopotentials with other ones shows their quality
 (see, e.g., Andrae et al., Theor. Chim. Acta 78 (1991) 247).
 With best regards,
 Michael Dolg, Hermann Stoll, Andreas Savin, Heinzwerner Preuss