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Top 5 C++ quantum-mechanic Projects
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HartreeFock
A program implementing the Hartree–Fock (also post-HF: MP2, CCSD(T), CIS and TDHF/RPA)/self-consistent field method (also DIIS) with Gaussian orbitals
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DFTQuantumDot
Density Functional Theory with plane waves basis, applied on a 'quantum dot'. Volumetric visualization of orbitals with VTK
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WorkOS
The modern identity platform for B2B SaaS. The APIs are flexible and easy-to-use, supporting authentication, user identity, and complex enterprise features like SSO and SCIM provisioning.
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KKR
Korringa-Kohn-Rostoker (multiple scattering theory/Green's function method) band structure calculation
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For this one I used my own code that draws the chart: https://github.com/aromanro/HartreeFock
In this one I used VTK to plot 3D data: https://github.com/aromanro/DFTQuantumDot
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A note from our sponsor - InfluxDB
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Index
What are some of the best open-source quantum-mechanic projects in C++? This list will help you:
Project | Stars | |
---|---|---|
1 | HartreeFock | 50 |
2 | DFTQuantumDot | 22 |
3 | KKR | 17 |
4 | VQMCMolecule | 13 |
5 | TheUniverse | 1 |
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