Gaussian Basis Set (Popularity: )

Free download of many basis sets in different formats.

Sicklist Database (Popularity: )

List of molecules for which various quantum chemistry methods give poor agreement with experimental results. ...

Introduction to Relativistic Quantum Chemistry (Popularity: )

Lecture notes for a course taught at the University of Helsinki.

Computational Chemistry Comparison and Benchmark Database (Popularity: )

Compares experimental properties of small gas phase molecules with properties computed using a variety of ...

Semiempirical Methods (Popularity: )

An overview of the theory, equations, and performance of the methods based on neglect of ...

Linear Scaling Electronic Structure Methods (Popularity: )

Lecture notes from a 2002 conference sponsored by the Institute for Pure and Applied Mathematics ...

Simplified Introduction to Ab Initio Basis Sets. Terms and Notation (Popularity: )

An article by Jan K. Labanowski.

Quantum Simulations of Complex Many-Body Systems: Lecture Notes (Popularity: )

From a 2002 conference sponsored by the John von Neumann Institute for Computing.

Quantum Simulations of Complex Many-Body Systems: Poster Presentations (Popularity: )

From a 2002 conference sponsored by the John von Neumann Institute of Computing.

Modern Methods and Algorithms of Quantum Chemistry: Poster Presentations (Popularity: )

From a 2000 conference sponsored by the John von Neumann Institute for Computing.

Relativistic Theory of Atoms and Molecules (Popularity: )

Searchable database of journal articles focusing largely (but not exclusively) on relativistic ab initio quantum ...

Modern Methods and Algorithms of Quantum Chemistry: Proceedings (Second Edition) (Popularity: )

From a 2000 conference sponsored by the John von Neumann Institute for Computing.