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Open Directory - Science: Chemistry: Computational: Electronic Structure
Science: Physics: Quantum Mechanics
Gaussian Basis Set
- Free download of many basis sets in different formats.
- Web-based 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.
- 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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