Q-chem quantum chemistry package

http://www.q-chem.com/

Single Node Unix Workstations
See supported platforms here
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The Ultimate Quantum Solution
to Problems of All Sizes

Q-Chem is a comprehensive ab initio quantum chemistry package. Its capabilities range from the highest performance DFT/HF calculations to high level post-HF correlation methods. Q-Chem tackles a wide range of problems in commercial, academic and government laboratories, including:

Molecular Structures Chemical Reactions Molecular Vibrations

Electronic Spectra NMR Spectra Solvation Effects

Q-Chem provides users with some distinct advantages:

• Fast DFT calculations with accurate linear scaling algorithms
• A wide range of post-HF correlation methods that are efficient and unique
• Quantum calculations extended with QM/MM and molecular dynamics
• Detailed description in Q-Chem paper

How to Obtain Q-Chem

Q-Chem is available in two ways:

• Stand-alone (LINUX, Mac OS and other UNIX platforms)
• Fully integrated, as the back end of Spartan '06