Re: state averaging in RASSCF

Posted by Anders Bernhardsson on September 21, 1999 at 18:08:10:

In Reply to: state averaging in RASSCF posted by D. M. Hirst on July 27, 1999 at 16:03:06:

: Is it possible to do state averaging over states of different symmetry
: e.g. over sigma and pi states for linear molecules so that one can use
: a common set of orbitals in a subsequent CI calculation? I don't see
: mention of this in the manual. The SYMMETRY directive implies that one
: can only consider one symmetry.

No

Follow Ups:

• Re: state averaging in RASSCF Luis Seijo 11:43:33 9/27/99 (2)
  • Re: state averaging in RASSCF B. Roos 13:21:06 11/03/99 (1)
    • Re: state averaging in RASSCF Luis Seijo 01:16:24 11/18/99 (0) 133.48.157.210

Post a Followup

Name:
E-Mail:

Subject:

Comments:
: : Is it possible to do state averaging over states of different symmetry : : e.g. over sigma and pi states for linear molecules so that one can use : : a common set of orbitals in a subsequent CI calculation? I don't see : : mention of this in the manual. The SYMMETRY directive implies that one : : can only consider one symmetry. : : No