A C++ library for solving second-quantized Hamiltonians
Python code to calculate and display the radial wavefunction and associated probabilities of Hydrogen. This is a two particle system so can be solved exactly.
Hydrogen wavefunction modeling and electron probability density plotting
Compute vibrational levels, wavefunctions, and expectation values using the Numerov-Cooley algorithm.
Software package for performing various computations of diatomic molecules.
Results from newly proposed Geminal-based Coupled Cluster wavefunctions with 1-reference orbitals for strongly correlated systems.
Here we are trying to model & simulate the band structures (tightbinding, FDTD, PWE (plane wave expansion), Density Functional theory (DFT), ...)
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