Density Functional Theory in real space, for atoms, LDA and LSDA
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Updated
Mar 15, 2024 - C++
Density Functional Theory in real space, for atoms, LDA and LSDA
Korringa-Kohn-Rostoker (multiple scattering theory/Green's function method) band structure calculation
Augmented Plane Waves (both APW and LAPW), band structure computation
Scattering on a Lennard-Jones potential, cross-section computation.
A Schroedinger Equation solver in C++, with flexible basis definition
Solves one dimensional Schrodinger problem using several methods.
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