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6 search results found
Schroedinger
⭐
26
A Schroedinger Equation solver in C++, with flexible basis definition
Dftatom
⭐
18
Density Functional Theory in real space, for atoms, LDA and LSDA
Kkr
⭐
15
Korringa-Kohn-Rostoker (multiple scattering theory/Green's function method) band structure calculation
Apw
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8
Augmented Plane Waves (both APW and LAPW), band structure computation
Scattering
⭐
7
Scattering on a Lennard-Jones potential, cross-section computation.
Schrodinger Dtbc
⭐
5
🚀 Solve the time-dependent Schrodinger equation in unbounded domain
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1-6 of 6 search results
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