Quantum Package : a programming environment for wave function methods
A reference implementation for a quantum virtual machine in Python
Set of quantum chemistry programs and libraries
Modeling and Crystallographic Utilities
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.
FDF files for relaxation, PDOS and Denchar calculations in SIESTA 4.0.2 version as well as 4.1v and PSML supported version
A wave function tunneling across a barrier
Hydrogen wavefunction modeling and electron probability density plotting
Time-evolution of a wavefunction using a Krylov subspace expansion
Xatu is a solver for the Bethe-Salpeter equation in solids to obtain the exciton spectrum
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.
A quantum wave function evolution simulator.
A Rust module for manipulating VASP WAVECAR.
Artificial neural networks applied as molecular wave function solvers
This repository contains necessary lines of code that are required in solving the time-independent Schrodinger equation. It also contains graphs that are made visually appealing, in .pdf format. These plots are acquired from running the lines of codes that are also attached to this repository.
In this repository, I will try to upload all my assignments of the module Quantum Mechanics that I am taking at RWTH-Aachen University. I am a student of MSc. Simulation Sciences and is my first experience in Programming. The aim of this repository is through Python coding solve numerically and have a better understanding of the rather difficult…
Continuous symmetry measures (CSM) of electronic wave function
Schrödinger-like simulator of quantum computers
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