Electronic Structure (11)

See Also:
Regular Links:

http://srdata.nist.gov/cccbdb/
Computational Chemistry Comparison and Benchmark Database Open in a new browser window
   Compares experimental properties of small gas phase molecules with properties computed using a variety of ab initio methods.
   http://srdata.nist.gov/cccbdb/
http://www.emsl.pnl.gov/forms/basisform.html
Gaussian Basis Set Open in a new browser window
   Free download of many basis sets in different formats.
   http://www.emsl.pnl.gov/forms/basisform.html
http://www.chem.helsinki.fi/Education/RQC
Introduction to Relativistic Quantum Chemistry Open in a new browser window
   Lecture notes for a course taught at the University of Helsinki.
   http://www.chem.helsinki.fi/Education/RQC
http://www.ipam.ucla.edu/programs/es2002/
Linear Scaling Electronic Structure Methods Open in a new browser window
   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/es2002/
http://www.fz-juelich.de/nic-series/Volume2/Volume2.html
Modern Methods and Algorithms of Quantum Chemistry: Poster Presentations Open in a new browser window
   From a 2000 conference sponsored by the John von Neumann Institute for Computing.
   http://www.fz-juelich.de/nic-series/Volume2/Volume2.html
http://www.fz-juelich.de/nic-series/Volume3/Volume3.html
Modern Methods and Algorithms of Quantum Chemistry: Proceedings (Second Edition) Open in a new browser window
   From a 2000 conference sponsored by the John von Neumann Institute for Computing.
   http://www.fz-juelich.de/nic-series/Volume3/Volume3.html
http://www.fz-juelich.de/nic-series/volume10/volume10.html
Quantum Simulations of Complex Many-Body Systems: Lecture Notes Open in a new browser window
   From a 2002 conference sponsored by the John von Neumann Institute for Computing.
   http://www.fz-juelich.de/nic-series/volume10/volume10.html
http://www.fz-juelich.de/nic-series/volume11/volume11.html
Quantum Simulations of Complex Many-Body Systems: Poster Presentations Open in a new browser window
   From a 2002 conference sponsored by the John von Neumann Institute of Computing.
   http://www.fz-juelich.de/nic-series/volume11/volume11.html
http://www.csc.fi/rtam/
Relativistic Theory of Atoms and Molecules Open in a new browser window
   Searchable database of journal articles focusing largely (but not exclusively) on relativistic ab initio quantum chemical calculations.
   http://www.csc.fi/rtam/
http://www.cup.uni-muenchen.de/oc/zipse/lv18099/semi1.html
Semiempirical Methods Open in a new browser window
   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/zipse/lv18099/semi1.html
http://www.ccl.net/cca/documents/basis-sets/basis.html
Simplified Introduction to Ab Initio Basis Sets. Terms and Notation Open in a new browser window
   An article by Jan K. Labanowski.
   http://www.ccl.net/cca/documents/basis-sets/basis.html

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