wavefunction
Repository of the package Fast Wave
⚛️ A module for solving and visualizing the Schrödinger equation.
A reference implementation for a quantum virtual machine in Python
Modeling and Crystallographic Utilities
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.
