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wavefunctionHere are 38 public repositories matching this topic...Language: All
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⚛️ A module for solving and visualizing the Schrödinger equation.
visualization python physics quantum quantum-mechanics simulations schrodinger-equation quantum-physics wavefunction quantum-programming
Quantum Package : a programming environment for wave function methods
Modeling and Crystallographic Utilities
A reference implementation for a quantum virtual machine in Python
Set of quantum chemistry programs and libraries
dft chemistry fortran quantum ocaml computational-chemistry zmq amazing quantum-chemistry-programs wavefunction
Xatu solves the Bethe-Salpeter equation in solids to obtain the exciton spectrum
dft density-functional-theory tight-binding optics solid-state-physics electronic-structure absorption bethe-salpeter condensed-matter-physics wavefunction excitons localized-orbitals
FDF files for relaxation, PDOS and Denchar calculations in SIESTA 4.0.2 version as well as 4.1v and PSML supported version
2D 3D Time independent FDM Schrodinger equation solver for arbitrary shape of well
An efficient toolkit for chemical resonance analysis based on quantum chemistry calculations. It implements the quantitative theory of resonance by expansion of the wave function from a DFT/HF calculation in terms of those of the Lewis structures.
dft chemistry density-functional-theory graph-theory quantum-chemistry molecular-orbital-theory wavefunction bonding rumer kekule wave-functions resonance-theory valence-bond lewis-structures mesomerism aromaticity conjugated-compounds delocalization
Repository of the package Fast Wave
python numpy cython scientific-computing quantum-computing numerical-methods numba quantum-optics quantum-simulation wavefunction quantum-harmonic-oscillator photonic-quantum-computing fock-states
Make interactive scatterplots of atomic orbitals and animate them.
toml cross-platform small scientific-visualization tiny quantum-chemistry scatter-plot cli-app simulations matplotlib plotting visualizations interactive-visualizations schrodinger-equation 3d-animation scatterplot quantum-physics 3d-plot orbitals wavefunction
A wave function tunneling across a barrier
Time-evolution of a wavefunction using a Krylov subspace expansion
A quantum wave function evolution simulator.
Interactive real-time 3D visualizer of hydrogen-like atomic orbitals using analytical wavefunctions • C++23 + OpenGL + ImGui
cmake opengl glfw imgui quantum-mechanics scientific-visualization educational physics-simulation atomic-orbitals hydrogen-atom wavefunction cpp23
Program for calculating the energies of the eigenstates of hydrogen, as well as writing the specified (radial) wavefunction to a .txt file. This is my solution to a homework problem in computational atomic physics.
Visualization with animation and interactive plot
python animation numpy quantum-mechanics python3 bokeh harmonic-oscillator anima matplotlib-animation wavefunction lho hermite-polynomial quantum-oscillator
outil web interactif conçu pour explorer les orbitales quantiques de l’atome d’hydrogène.
A Rust module for manipulating VASP WAVECAR.
Continuous symmetry measures (CSM) of electronic wave function
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