In atomic physics and quantum chemistry, the electron configuration is the arrangement of electrons in an atom, molecule or other body. Specifically, it is the placement of electrons into atomic, molecular, or other forms of electron orbitals. The electrons occupy specific probability regions, whose shapes and electron capacity are denoted by the letters s,p,d,f and the as of yet unseen g,h, and i. The energy of an orbital is shown by a whole number (1-7) next to the letter, electrons are able to jump from one energy level (orbital filling laws allowing) to another by emission of a quantum of energy, in the form of a photon
| number | denoted | allowed range | represents |
|---|---|---|---|
| principal quantum number | n | integer, 1 or more | partly the overall energy of the orbital, and by extension its general distance from the nucleus |
| azimuthal quantum number | l | integer, 0 to n-1 | the orbital's angular momentum, also seen as the number of nodes in the density plot |
| magnetic quantum number | m | integer, -l to +l | determines energy shift of an atomic orbital due to external magnetic field (Zeeman effect). |
| spin quantum number | s | +½ or -½ (sometimes called "up" and "down") | Spin is an intrinsic property of the electron and independent of the other numbers. s and l in part determine the electron's magnetic dipole moment. |

Computational Chemistry Comparison and Benchmark Database - Compares experimental properties of small gas phase molecules with properties computed using a variety of ab initio methods.
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Gaussian Basis Set - Free download of many basis sets in different formats.
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.
Modern Methods and Algorithms of Quantum Chemistry: Poster Presentations - From a 2000 conference sponsored by the John von Neumann Institute for Computing.
Modern Methods and Algorithms of Quantum Chemistry: Proceedings (Second Edition) - From a 2000 conference sponsored by the John von Neumann Institute for Computing.
Quantum Simulations of Complex Many-Body Systems: Lecture Notes - From a 2002 conference sponsored by the John von Neumann Institute for Computing.
Quantum Simulations of Complex Many-Body Systems: Poster Presentations - From a 2002 conference sponsored by the John von Neumann Institute of Computing.
Relativistic Theory of Atoms and Molecules - Searchable database of journal articles focusing largely (but not exclusively) on relativistic ab initio quantum chemical calculations.
Semiempirical Methods - An overview of the theory, equations, and performance of the methods based on neglect of differential overlap, with emphasis on AM1, MNDO, and PM3.
Sicklist Database - List of molecules for which various quantum chemistry methods give poor agreement with experimental results. Also recommends alternative computational methods that give better results.
Simplified Introduction to Ab Initio Basis Sets. Terms and Notation - An article by Jan K. Labanowski.
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