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Science: Physics: Quantum Mechanics (315)

» Computational Chemistry Comparison and Benchmark Database - Compares experimental properties of small gas phase molecules with properties computed using a variety of ab initio methods.

http://www.emsl.pnl.gov/forms/basisform.html

» Gaussian Basis Set - Free download of many basis sets in different formats.

http://www.chem.helsinki.fi/Education/RQC

» Introduction to Relativistic Quantum Chemistry - Lecture notes for a course taught at the University of Helsinki.

http://www.ipam.ucla.edu/programs/es2002/

» Linear Scaling Electronic Structure Methods - Lecture notes from a 2002 conference sponsored by the Institute for Pure and Applied Mathematics at the University of California, Los Angeles.

http://www.fz-juelich.de/nic-series/Volume2/Volume2.html

» Modern Methods and Algorithms of Quantum Chemistry: Poster Presentations - From a 2000 conference sponsored by the John von Neumann Institute for Computing.

http://www.fz-juelich.de/nic-series/Volume3/Volume3.html

» Modern Methods and Algorithms of Quantum Chemistry: Proceedings (Second Edition) - From a 2000 conference sponsored by the John von Neumann Institute for Computing.

http://www.emsl.pnl.gov/docs/nwchem/nwchem.html

» NWChem - Software for electronic structure calculation and molecular dynamics simulations. Includes documentation, information on how to obtain the software, and tutorials.

http://www.fz-juelich.de/nic-series/volume10/volume10.html

» Quantum Simulations of Complex Many-Body Systems: Lecture Notes - From a 2002 conference sponsored by the John von Neumann Institute for Computing.

http://www.fz-juelich.de/nic-series/volume11/volume11.html

» Quantum Simulations of Complex Many-Body Systems: Poster Presentations - From a 2002 conference sponsored by the John von Neumann Institute of Computing.

http://www.cup.uni-muenchen.de/oc/zipse/lv18099/semi1.html

» Semiempirical Methods - 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.ccl.net/cca/documents/basis-sets/basis.html

» Simplified Introduction to Ab Initio Basis Sets. Terms and Notation - An article by Jan K. Labanowski.

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