aromanro / DFTQuantumDot
Density Functional Theory with plane waves basis, applied on a 'quantum dot'. Volumetric visualization of orbitals with VTK
☆24Updated 10 months ago
Alternatives and similar repositories for DFTQuantumDot:
Users that are interested in DFTQuantumDot are comparing it to the libraries listed below
- Augmented Plane Waves (both APW and LAPW), band structure computation☆13Updated last year
- Density Functional Theory in real space, for atoms, LDA and LSDA☆29Updated last year
- Exchange correlation (XC) library for density functional theory (DFT) calculations in modern C++☆20Updated 3 weeks ago
- A program implementing event driven molecular dynamics for hard smooth spheres, using OpenGL for displaying☆22Updated last year
- Scattering on a Lennard-Jones potential, cross-section computation.☆11Updated last year
- Semi-empirical tight-binding computation of the electronic structure of semiconductors☆14Updated last year
- Korringa-Kohn-Rostoker (multiple scattering theory/Green's function method) band structure calculation☆19Updated last year
- A poor man's density functional theory program☆13Updated 5 months ago
- A simple Density Matrix Renormalization Group program☆16Updated 11 months ago
- A simple Time Evolving Block Decimation program☆10Updated 7 months ago
- Variational Quantum Monte Carlo for a molecule, using Fokker-Planck/Langevin approach☆14Updated last year
- Solving Poisson equation using a spectral method, also introducing VTK which will probably be used for other projects☆16Updated last year
- Hartree-Fock C++ code☆31Updated 8 months ago
- 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
- Library for Green’s function based electronic structure theory calculations☆23Updated 2 weeks ago
- SeQuant: Symbolic Algebra of Tensors over Operators and Scalars☆19Updated this week
- A simple program implementing the numerical renormalization group☆20Updated last year
- The project represents a Python framework for computing the electron transport characteristics using the non-equilibrium Green's function…☆12Updated 5 years ago
- Electron Density Plotter☆37Updated 2 months ago
- Library for local orbital scaling correction (LOSC).☆16Updated 9 months ago
- do the Fourier transform using the method of Padé approximants☆22Updated 5 months ago
- Reference implementation of GW☆13Updated 5 years ago
- Code generator for simint vectorized integrals☆28Updated 2 years ago
- A modern C++ library for high-performance configuration interaction methods☆16Updated last month
- Mathematica modules for electronic structure calculations☆27Updated last year
- A collection of fortran modules and routines to support quantum many-body calculations, with a strong focus on Dynamical Mean-Field Theor…☆15Updated 3 months ago
- Plane-Wave density-functional theory (DFT) development for NWChemEx electronic structure software☆15Updated last week
- Lecture materials for: Ab initio methods in solid state physics.☆22Updated 4 months ago
- Block implements the density matrix renormalization group (DMRG) algorithm for quantum chemistry.☆33Updated last year