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Category:  Science » Chemistry » Computational » Ab Initio and Density Functional SUGGEST CATEGORY  |  SUBMIT A SITE

Ab Initio and Density Functional

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Records 1-9 of 9
 



Sponsored Links:


Gaussian Basis Set (Popularity: )
http://www.emsl.pnl.gov/forms/basisform.html
Free download of many basis sets in different formats.

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



Simplified Introduction to Ab Initio Basis Sets. Terms and Notation (Popularity: )
http://www.ccl.net/cca/documents/basis-sets/basis.html
An article by Jan K. Labanowski.

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



Linear Scaling Electronic Structure Methods (Popularity: )
http://www.ipam.ucla.edu/programs/es2002/
Lecture notes from a 2002 conference sponsored by the Institute for Pure and Applied Mathematics at the University of California, Los Angeles.

Quantum Simulations of Complex Many-Body Systems: Poster Presentations (Popularity: )
http://www.fz-juelich.de/nic-series/volume11/volume11.html
From a 2002 conference sponsored by the John von Neumann Institute of Computing.

Modern Methods and Algorithms of Quantum Chemistry: Proceedings (Second Edition) (Popularity: )
http://www.fz-juelich.de/nic-series/Volume3/Volume3.html
From a 2000 conference sponsored by the John von Neumann Institute for Computing.

Quantum Simulations of Complex Many-Body Systems: Lecture Notes (Popularity: )
http://www.fz-juelich.de/nic-series/volume10/volume10.html
From a 2002 conference sponsored by the John von Neumann Institute for Computing.

Modern Methods and Algorithms of Quantum Chemistry: Poster Presentations (Popularity: )
http://www.fz-juelich.de/nic-series/Volume2/Volume2.html
From a 2000 conference sponsored by the John von Neumann Institute for Computing.

 
Records 1-9 of 9

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