Gaussian
from Gaussian, Inc., Pittsburgh

Gaussian is designed to model a broad range of molecular systems under a variety of conditions, performing its computations starting from the basic laws of quantum mechanics. It provides a wide number of ab initio models, some semiempirical models, and Density Functional Theory (DFT) methods. Gaussian can predict energies, molecular structures, vibrational frequencies and numerous molecular properties for systems in the gas phase and in solution, and it can model both their ground state and excited states.

Version  Gaussian 03, Revision B.03
Availability: JUMP and Linux
Access and Usage

Visualization software
 MOLDEN
 GaussView

Information and Documentation

Gaussian 03 Online-Manual
What's new in Gaussian 03
Gaussian Tech: A Collaboration of IBM and the Supercomputing Institute
Manuals, Books, Tutorials
Gaussian am RRZ zu Köln
Gaussian WWW server



last change 28.04.2005 | Math Admin | Print