https://github.com/aromanro/dftquantumdot

Density Functional Theory with plane waves basis, applied on a 'quantum dot'. Volumetric visualization of orbitals with VTK
https://github.com/aromanro/dftquantumdot

3d computational-physics conjugate-gradient conjugate-gradient-descent density-functional-theory dft eigen fft gradient-descent mfc minimum orbital physics poisson preconditioning quantum quantum-dot quantum-mechanics spectral-methods vtk-applications

Last synced: 11 months ago
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Density Functional Theory with plane waves basis, applied on a 'quantum dot'. Volumetric visualization of orbitals with VTK

• Host: GitHub
• URL: https://github.com/aromanro/dftquantumdot
• Owner: aromanro
• License: gpl-3.0
• Created: 2017-11-01T20:54:52.000Z (over 8 years ago)
• Default Branch: master
• Last Pushed: 2024-06-16T08:50:06.000Z (over 1 year ago)
• Last Synced: 2024-10-10T22:14:34.849Z (over 1 year ago)
• Topics: 3d, computational-physics, conjugate-gradient, conjugate-gradient-descent, density-functional-theory, dft, eigen, fft, gradient-descent, mfc, minimum, orbital, physics, poisson, preconditioning, quantum, quantum-dot, quantum-mechanics, spectral-methods, vtk-applications
• Language: C++
• Homepage: http://compphys.go.ro/dft-for-a-quantum-dot/
• Size: 226 KB
• Stars: 22
• Watchers: 5
• Forks: 10
• Open Issues: 3
• Metadata Files:
  • Readme: README.md
  • License: LICENSE

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README

          
# DFTQuantumDot

Density Functional Theory applied on a 'quantum dot'. Volumetric visualization of orbitals with VTK

[![Codacy Badge](https://api.codacy.com/project/badge/Grade/941927d1e5ba4d698dbd4c67d498e078)](https://app.codacy.com/gh/aromanro/DFTQuantumDot?utm_source=github.com&utm_medium=referral&utm_content=aromanro/DFTQuantumDot&utm_campaign=Badge_Grade_Settings)

[![CodeFactor](https://www.codefactor.io/repository/github/aromanro/dftquantumdot/badge)](https://www.codefactor.io/repository/github/aromanro/dftquantumdot)

A description of the project is on the computational physics blog: https://compphys.go.ro/dft-for-a-quantum-dot/

Some theory is also available there: https://compphys.go.ro/density-functional-theory/

### PROGRAM IN ACTION

[![Program video](https://img.youtube.com/vi/OMgNsX4QeHs/0.jpg)](https://youtu.be/OMgNsX4QeHs)