Thursday, 20 June, 2013
search
Ab Initio and Density Functional
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.
© 2005-2010 Science Central. All Rights Reserved