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Computational Chemistry Comparison and Benchmark Database Save
Compares experimental properties of small gas phase molecules with properties computed using a variety of ab initio methods.
http://srdata.nist.gov/cccbdb/   

Gaussian Basis Set Save
Free download of many basis sets in different formats.
http://www.emsl.pnl.gov/forms/basisfo...   

Introduction to Relativistic Quantum Chemistry Save
Lecture notes for a course taught at the University of Helsinki.
http://www.chem.helsinki.fi/Education...   

Linear Scaling Electronic Structure Methods Save
Lecture notes from a 2002 conference sponsored by the Institute for Pure and Applied Mathematics at the University of California, Los Angeles.
http://www.ipam.ucla.edu/programs/es2...   

Modern Methods and Algorithms of Quantum Chemistry: Poster Presentations Save
From a 2000 conference sponsored by the John von Neumann Institute for Computing.
http://www.fz-juelich.de/nic-series/V...   

Modern Methods and Algorithms of Quantum Chemistry: Proceedings (Second Edition) Save
From a 2000 conference sponsored by the John von Neumann Institute for Computing.
http://www.fz-juelich.de/nic-series/V...   

Quantum Simulations of Complex Many-Body Systems: Lecture Notes Save
From a 2002 conference sponsored by the John von Neumann Institute for Computing.
http://www.fz-juelich.de/nic-series/v...   

Quantum Simulations of Complex Many-Body Systems: Poster Presentations Save
From a 2002 conference sponsored by the John von Neumann Institute of Computing.
http://www.fz-juelich.de/nic-series/v...   

Relativistic Theory of Atoms and Molecules Save
Searchable database of journal articles focusing largely (but not exclusively) on relativistic ab initio quantum chemical calculations.
http://www.csc.fi/rtam/   

Semiempirical Methods Save
An overview of the theory, equations, and performance of the methods based on neglect of differential overlap, with emphasis on AM1, MNDO, and PM3.
http://www.cup.uni-muenchen.de/oc/zip...   

Simplified Introduction to Ab Initio Basis Sets. Terms and Notation Save
An article by Jan K. Labanowski.
http://www.ccl.net/cca/documents/basi...   

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