blob: a89ae8c55985ed847375ed6d368238694cafb53a (
plain) (
blame)
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
|
PSI/88 Version 1.0 by W. L. Jorgensen & D. L. Severance
To plot wavefunctions in three dimensions from
semi-empirical and most popular ab initio basis sets.
Valence semi-empirical, STO-3G, 3-21++G(*) and
6-31++G(d,p) basis sets are implemented for atoms
H-Ar.
WWW: http://zarbi.chem.yale.edu/products/psi88/index.shtml
On-line manual is available at this web site.
You can also download the source code of psi88 from
the above site as a ``psi88.tar.gz''. When you do ungzip and
untar this archive, you will obtain some documents and
the ``psi88.tar.Z'' file which is required at this port.
|
