aromanro / DFTQuantumDotLinks
Density Functional Theory with plane waves basis, applied on a 'quantum dot'. Volumetric visualization of orbitals with VTK
☆24Updated 11 months ago
Alternatives and similar repositories for DFTQuantumDot
Users that are interested in DFTQuantumDot are comparing it to the libraries listed below
Sorting:
- Augmented Plane Waves (both APW and LAPW), band structure computation☆13Updated last year
- Density Functional Theory in real space, for atoms, LDA and LSDA☆30Updated last year
- Scattering on a Lennard-Jones potential, cross-section computation.☆11Updated last year
- A program implementing event driven molecular dynamics for hard smooth spheres, using OpenGL for displaying☆23Updated last year
- A simple Density Matrix Renormalization Group program☆16Updated last year
- Solving Poisson equation using a spectral method, also introducing VTK which will probably be used for other projects☆16Updated last year
- Korringa-Kohn-Rostoker (multiple scattering theory/Green's function method) band structure calculation☆19Updated last year
- Semi-empirical tight-binding computation of the electronic structure of semiconductors☆14Updated last year
- Exchange correlation (XC) library for density functional theory (DFT) calculations in modern C++☆21Updated 2 months ago
- A poor man's density functional theory program☆13Updated 7 months ago
- A simple Time Evolving Block Decimation program☆10Updated 8 months ago
- Variational Quantum Monte Carlo for a molecule, using Fokker-Planck/Langevin approach☆14Updated last year
- many-body perturbation theory without empty states☆12Updated 6 years ago
- A program implementing Metropolis Monte Carlo for the 2D square-lattice Ising model and the spin block renormalization☆31Updated last year
- Generate isosurface from density data☆12Updated 3 weeks ago
- A program implementing the Hartree–Fock (also post-HF: MP2, CCSD(T), CIS and TDHF/RPA)/self-consistent field method (also DIIS) with Gaus…☆62Updated 10 months ago
- Fundamentals and Applications of Density Functional Theory with Interactive Live Scripts and Intuitive Codes☆15Updated last month
- Library for Green’s function based electronic structure theory calculations☆23Updated 2 weeks ago
- Tight binding molecular dynamics code to model carbon structures (linear carbon chains, fullerenes, graphene, etc.)☆10Updated 7 years ago
- This is a mirror. Please check our main website on gitlab.☆29Updated 3 weeks ago
- A modern C++ library for high-performance configuration interaction methods☆16Updated 3 months ago
- Plane-Wave density-functional theory (DFT) development for NWChemEx electronic structure software☆15Updated this week
- SeQuant: Symbolic Algebra of Tensors over Operators and Scalars☆19Updated this week
- Reference implementation of GW☆13Updated 5 years ago
- Library for local orbital scaling correction (LOSC).☆16Updated 11 months ago
- Block implements the density matrix renormalization group (DMRG) algorithm for quantum chemistry.☆34Updated last year
- Electron Density Plotter☆38Updated 4 months ago
- A library for symmetry operations and linear interpolation within an irreducible part of the first Brillouin zone.☆16Updated 10 months ago
- Solution of Hartree-Fock equations within Pople's STO-3G basis set☆36Updated 6 years ago
- QuAcK: a software for emerging quantum electronic structure methods☆24Updated this week