Directory Home: Science: Chemistry: Computational: Electronic Structure  (11)

Encyclopaedia search for Electronic Structure  
How to link to Electronic Structure

Electronic Structure - Related Categories

 Science: Physics: Quantum Mechanics - 315 sites

Electronic Structure - Web 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.
url: srdata.nist.gov/cccbdb/

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

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

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

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

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

NWChem
Software for electronic structure calculation and molecular dynamics simulations. Includes documentation, information on how to obtain the software, and tutorials.
url: www.emsl.pnl.gov/docs/nwchem/nwchem.html

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

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

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.
url: www.cup.uni-muenchen.de/oc/zipse/lv18099/semi1.htm....

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

Search for Electronic Structure elsewhere

 
Here is an example of a HTML link that will link to this page - please feel free to edit the code snippet to suit your own requirements.