Directory of Electronic Structure Resources

Home > Science > Chemistry > Computational > Electronic Structure

Resources in This Category

• NWChem

  http://www.nwchem-sw.org/
  Software for electronic structure calculation and molecular dynamics simulations. Includes documentation, information on how to obtain the software, and tutorials.

• Simplified Introduction to Ab Initio Basis Sets. Terms and Notation

  http://www.ccl.net/cca/documents/basis-sets/basis.html
  An article by Jan K. Labanowski.

Related Categories

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