Bazsites.com Electronic Structure
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On the Web
- PrimeColor Software - Computational chemistry tools to study molecular structure, crystal structure, electronic structure and band structure.
- 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.
- MOLDEN - Pre- and post-processing program for molecular and electronic structure, with Z-matrix editor, electron density visualization, and molecule animations. Available for Unix and VMS; free for academic use.
- Projector Augmented Wave (PAW) - The program atompaw generates projector and basis functions which are needed for performing electronic structure calculations based on the projector augmented wave (PAW) method. The pwpaw code is a plane wave implementation of the PAW method developed by Blochl for electronic structure calculations within the framework of density functional theory. By Natalie Holzwarth.
- Journal of Molecular Structure: THEOCHEM - Publishes research related to the theory and modelling of molecular systems, including electronic structure, ab initio and semiempirical; graphical approaches to structure and properties; molecular modelling; reaction dynamics and scattering; spectroscopic and experimental studies that test and evaluate theories and models; statistical mechanics; and unique computational techniques.
- WIEN 2k - Fortran 90 code to perform electronic structure calculations of solids using density functional theory (DFT). It is based on the full-potential (linearized) augmented plane-wave ((L)APW) + local orbitals (lo) method, among the most accurate schemes for band structure calculations. [Commercial]
- Naval Research Laboratory Electronic Structure Calculations Database - Band structure, total energy, density of states, and derived quantities for most Periodic elements, hydrides, carbides, nitrides, and oxides.
- ABINIT - Finds the total energy, charge density, and electronic structure of systems made of electrons and nuclei, using pseudopotentials and a plane-wave basis.
- Lightning Technologies, Inc. - Provides lightning protection design, engineering and testing for advanced electrical, electronic and structural systems and facilities.
- Atomic Structure - Bohr on electronic structure of the periodic table. Article from Nature.
Wikipedia Articles
- Electronic band structure - In solid state physics, the electronic band structure (or simply band structure) of a solid describes ranges of energy that an electron is "forbidden" or "allowed" to have. It is due to the diffraction of the quantum mechanical electron waves in the periodic crystal lattice.
- X-ray absorption fine structure - X-ray absorption fine structure (XAFS) is a specific structure observed in X-ray absorption spectroscopy (XAS). By analyzing the XAFS, information can be acquired on the local structure and on the unoccupied electronic states.
- Molecular Spectra and Molecular Structure IV. Constants of Diatomic Molecules - Classic comprehensive multidisciplinary reference text contains a critical compilation of available data for all diatomic molecules and ions known at present publication- over 900 diatomic species in all; including electronic energies, vibrational and rotational constants, and observed transitions. Extensive footnotes discuss the reliability of these data and additional detailed informationon potential energy curves, spin-coupling constants, /\-type doubling, pertubations between electronic states, hyperfine structure, rotational g factors, dipole moments, radiative lifetimes, oscillator strengths, dissociation energies and ionization potentials when available, and other aspects.
- Dirty electronic - Dirty electronic is a style of electronic music produced using distorted/gritty synthesizer and drum machine sounds, while maintaining a lead-vocal-driven pop song structure. Lyrics often contain controversial/offensive lyrics.
- Electronic correlation - Electronic correlation refers to the interaction between electrons in a quantum system whose electronic structure is being considered. The term correlation stems from mathematical statistics and means that two distribution functions, f and g, are not independent of each other.