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Top 20 Directory:
Top : Science : Chemistry : Computational : Electronic_Structure
See Also:
Sites:
  		• Computational Chemistry Comparison and Benchmark Database: Compares experimental properties of small gas phase molecules with properties computed using a variety of ab initio methods.
  		• Gaussian Basis Set: Free download of many basis sets in different formats.
  		• Introduction to Relativistic Quantum Chemistry: Lecture notes for a course taught at the University of Helsinki.
  		• 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.
  		• Modern Methods and Algorithms of Quantum Chemistry: Poster Presentations: From a 2000 conference sponsored by the John von Neumann Institute for Computing.
  		• Modern Methods and Algorithms of Quantum Chemistry: Proceedings (Second Edition): From a 2000 conference sponsored by the John von Neumann Institute for Computing.
  		• Quantum Simulations of Complex Many-Body Systems: Lecture Notes: From a 2002 conference sponsored by the John von Neumann Institute for Computing.
  		• Quantum Simulations of Complex Many-Body Systems: Poster Presentations: From a 2002 conference sponsored by the John von Neumann Institute of Computing.
  		• Relativistic Theory of Atoms and Molecules: Searchable database of journal articles focusing largely (but not exclusively) on relativistic ab initio quantum chemical calculations.
  		• 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.
  		• Simplified Introduction to Ab Initio Basis Sets. Terms and Notation: An article by Jan K. Labanowski.
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