Search Results for "slater-koster"
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Showing 7 open source projects for "slater-koster"
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ruleofSlater
Calculate effective atomic numbers and electron energies using the Slater rules
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TBStudio
A quantum technical software to find Tight-Binding model of structures
TBStudio is a powerful quantum technical software package to construct Tight-Binding (TB) model for nano-scale materials. Starting from the simplified linear combination of atomic orbitals method in combination with first-principles calculations (such as OpenMX or Vasp packages), one can construct a TB model in the two-centre approximation. Using Slater and Koster approach we calculate the TB Hamiltonian of the system and use a nonlinear fitting algorithm to find the best entries for both... -
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Repository moving to https://github.com/cmendl/fermifab ! A quantum physics toolbox for small fermionic systems. Keywords: quantum mechanics, reduced density matrices, Slater determinants, second quantization, creation and annihilation operators
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With Twilio Voice, you can build unique phone call experiences with one API, to create, receive, control and monitor calls with just a few lines of code. Create an engaging voice experience that you can quickly scale and modify with a wide array of customization options and resources.
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Molcrunch
An atomic or molecular electronic properties computational package
THE NEW, 11/7/2013 VERSION OF MOLCRUNCH IS HERE Molcrunch is an atomic or molecular electronic properties computational package. It provides Gaussian and Slater orbital support for SCF, MCSCF, and orthogonal or nonorthogonal orbital CI calculations. Its most sophisticated feature is a configuration manipulation CI package that provides symmetry filtering, orbital occupation selection, and a choice of many other wave function and/or basis characteristics. The symmetry filtering... -
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BasePlate
Great application by Jonno Verheul
Good evening, we, Jonno and Ruben Verheul Koster launchen this page for the application “BasePlate”. -
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