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10 search results found

Electronvisualized ⭐ 53

Public Archive: Beautiful and Elegant Quantum Mechanics Visualization.

Hartreefock ⭐ 41

A program implementing the Hartree–Fock (also post-HF: MP2, CCSD(T), CIS and TDHF/RPA)/self-consistent field method (also DIIS) with Gaussian orbitals

Pythoncompphys ⭐ 31

Some python workbooks with various topics from Computational Physics

A python script that solves the one dimensional time-independent Schrodinger equation for bound states. The script uses a Numerov method to solve the differential equation and displays the desired energy levels and a figure with an approximate wave function for each of these energy levels.

Dftquantumdot ⭐ 19

Density Functional Theory with plane waves basis, applied on a 'quantum dot'. Volumetric visualization of orbitals with VTK

Korringa-Kohn-Rostoker (multiple scattering theory/Green's function method) band structure calculation

Hydrogen Wavefunctions ⭐ 15

Hydrogen wavefunction modeling and electron probability density plots

Vqmcmolecule ⭐ 11

Variational Quantum Monte Carlo for a molecule, using Fokker-Planck/Langevin approach

Augmented Plane Waves (both APW and LAPW), band structure computation

Hartree Fock ⭐ 7

Solution of Hartree-Fock equations within Pople's STO-3G basis set

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Python Quantum Mechanics (78)

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