Subject: opt.at exc.st, mopac

From: "James J. P. Stewart" <[email-masked]>
Date: Tue, 18 Jan 2000 16:27:30 -0700

In MOPAC, the keyword EXCITED is now redundant, and is not
recommended.  See http://home.att.net/~mopacmanual/node176.html

The reason is that the old (pre 1993) definitions used in MOPAC for excited
states were ambiguous.  This is the precise problem that Nuran Elmaci has
encountered.  For a discussion on this, see
http://home.att.net/~mopacmanual/node500.html

Jimmy Stewart