A matlab implementation of density functional theory, for demonstrative purpose
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Updated
Sep 23, 2017 - MATLAB
A matlab implementation of density functional theory, for demonstrative purpose
A proof of concept restricted Hartree-Fock and DFT software for quantum chemistry
A tool to calculate and visualise molecular orbitals using RHF and DFT, written in MATLAB.
using Matlab to simulate the graphene energy band with approximation tight binding calculation
MATLAB toolbox to read Siesta, a Density Functional Theory (DFT) calculation platform, generated files.
rsFEM is a software suite for aspherical atomic calculations based on a hybrid Finite Element (radial) / Multipole Expansion (spherical) discretization.
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