wavefunction topic

List wavefunction repositories

qmsolve

790
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110
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⚛️ A module for solving and visualizing the Schrödinger equation.

verified publisher icon quantum-visualizations

mcu

41
Stars
20
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Modeling and Crystallographic Utilities

verified publisher icon hungpham2017

reference-qvm

45
Stars
19
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A reference implementation for a quantum virtual machine in Python

verified publisher icon rigetti

quantum_package

44
Stars
38
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Set of quantum chemistry programs and libraries

verified publisher icon LCPQ

SchrodingerWellPython

27
Stars
3
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2D 3D Time independent FDM Schrodinger equation solver for arbitrary shape of well

verified publisher icon weightan

EzReson

25
Stars
2
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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 calcula...

verified publisher icon yangwangmadrid

hydrogen-wavefunctions

32
Stars
6
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Hydrogen wavefunction modeling and electron probability density plots

verified publisher icon ssebastianmag

qp2

68
Stars
31
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Quantum Package : a programming environment for wave function methods

verified publisher icon QuantumPackage

Siesta

22
Stars
22
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FDF files for relaxation, PDOS and Denchar calculations in SIESTA 4.0.2 version as well as 4.1v and PSML supported version

verified publisher icon pritampanda15