wavefunction
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⚛️ A module for solving and visualizing the Schrödinger equation.
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Jan 4, 2025 - Python
Quantum Package : a programming environment for wave function methods
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Mar 19, 2025 - Fortran
Modeling and Crystallographic Utilities
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May 23, 2023 - Python
Hydrogen wavefunction modeling and electron probability density plots
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Dec 8, 2024 - Jupyter Notebook
A reference implementation for a quantum virtual machine in Python
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Feb 7, 2019 - Python
Set of quantum chemistry programs and libraries
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Dec 19, 2020 - Fortran
2D 3D Time independent FDM Schrodinger equation solver for arbitrary shape of well
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Sep 1, 2022 - Python
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.
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Apr 13, 2023 - Python
FDF files for relaxation, PDOS and Denchar calculations in SIESTA 4.0.2 version as well as 4.1v and PSML supported version
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Nov 13, 2024 - Lua
Xatu solves the Bethe-Salpeter equation in solids to obtain the exciton spectrum
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Oct 1, 2024 - C++
A wave function tunneling across a barrier
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May 15, 2019 - Jupyter Notebook
Time-evolution of a wavefunction using a Krylov subspace expansion
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May 9, 2019 - C++
Make interactive scatterplots of atomic orbitals and animate them.
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Mar 25, 2024 - Python
A quantum wave function evolution simulator.
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Apr 13, 2023 - JavaScript
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.
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Mar 8, 2022 - Fortran
Visualization with animation and interactive plot
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Dec 16, 2020 - Jupyter Notebook
pythonic way
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May 22, 2023 - Python
Artificial neural networks applied as molecular wave function solvers
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Apr 9, 2021 - C++
Schrödinger-like simulator of quantum computers
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Jan 21, 2023 - Julia
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