Gourt > Science > Chemistry > Computational > Electronic Structure
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
Electron configuration in atoms
The discussion below presumes knowledge of material contained at Atomic orbital.
Summary of the quantum numbers
The state of an electron in an atom is given by four quantum numbers. Three of these are integers and are properties of the atomic orbital in which it sits (a more thorough explanation is given in that article).| 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. |
...That said, it is a connoisseur's album. You should be familiar with classical music structure and other electronic music to love this
m4r (Mark Elliott) Thu, 31 Dec 2009 04:47:32 -0000
...That said, it is a connoisseur's album. You should be familiar with classical music structure and other electronic music to love this
Electronic Structure of Clusters http://cli.gs/MsGUr
ecampusnet (Campus Net) Mon, 28 Dec 2009 13:36:56 -0000
Electronic Structure of Clusters http://cli.gs/MsGUr
Electronic Structure of Clusters http://cli.gs/JzzmB
ecampusnet (Campus Net) Sat, 26 Dec 2009 23:05:44 -0000
Electronic Structure of Clusters http://cli.gs/JzzmB
Electronic device having bezel structure [6801268] http://bit.ly/7g0h7F
tweetalot (tweetalot) Sat, 26 Dec 2009 14:15:19 -0000
Electronic device having bezel structure [6801268] http://bit.ly/7g0h7F
Thermal cooling of industrial electronic module by conductive structure [7251133] http://bit.ly/8iC9Kh
tweetalot (tweetalot) Sat, 26 Dec 2009 01:20:46 -0000
Thermal cooling of industrial electronic module by conductive structure [7251133] http://bit.ly/8iC9Kh
Spanner with enhancing structure for positioning electronic devices installed therein [7185570] http://bit.ly/4NTOTh
tweetalot (tweetalot) Thu, 24 Dec 2009 22:30:17 -0000
Spanner with enhancing structure for positioning electronic devices installed therein [7185570] http://bit.ly/4NTOTh
Computational Chemistry Comparison and Benchmark Database - Compares experimental properties of small gas phase molecules with properties computed using a variety of ab initio methods.
Meta Description: [ Ideal-gas thermochemistry. Comparisons between theory and experiment. ]
404
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.
Meta Description: [ No Title ]
| Organic Chemistry | |
| Next Video | |
