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