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the entire directory
only in Computational/Electronic_Structure
Top
:
Science
:
Chemistry
:
Computational
:
Electronic Structure
(6)
See also:
Science: Physics: Quantum Mechanics
(260)
Gaussian Basis Set
 Free download of many basis sets in different formats.
hBar Lab
 Webbased service, where users pay to be provided with calculations of molecular properties such as ionization energy or geometry of a target molecule.
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.
NWChem
 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
 An article by Jan K. Labanowski.
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Last update: September 27, 2013 at 13:29:10 UTC 
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