mirror of
https://git.FreeBSD.org/ports.git
synced 2024-12-13 03:03:15 +00:00
17 lines
598 B
Plaintext
17 lines
598 B
Plaintext
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.
|