Evaluation of MO's from ab-initio calculations
- From: "Cameron Banks" <cam_banks-: at
- Subject: Evaluation of MO's from ab-initio calculations
- Date: Sat, 04 May 2002 01:34:54 -0400
I'm looking for some code that I can use to compute orbital and density
values on a grid from ab-initio (Gaussian/Gamess) calculations. I'm
of the MOLDEN code but this is not suitable for my purpose. What I'm
after is a Gaussian CUBEGEN like program that I can use like a library.
Alternatively if someone can point me to some literature I can
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