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Search results for quantum electronic structure

electronic-structure x

8 search results found

Quantica.jl ⭐ 63

Simulation of quantum systems on a lattice

Libra Code ⭐ 41

Scientific Python package for solving Slater Koster tight-binding topological hamiltonian

Gaussium ⭐ 38

A Quantum Chemistry program written in Python 3 supporting RHF, UHF, TDHF, CIS, MP2, DFT, CCSD and CCSD(T) methods.

Quiqbox.jl ⭐ 30

Exploring the computational power of fermionic quantum systems. Ab initio computation and basis set optimization for electronic structure problems.

The Ghent Quantum Chemistry Package for electronic structure calculations

Scialgs.jl ⭐ 24

Fundamental scientific algorithms in Julia

Quante.jl ⭐ 14

Quantum-chemistry methods in Julia. Based on Rick Muller's PyQuante2

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1-8 of 8 search results

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