A Julia toolbox for coding self-consistent field algorithms
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Updated
Aug 9, 2019 - Julia
A Julia toolbox for coding self-consistent field algorithms
Variational Quantum Eigensolver with Fewer Qubits
Learning how to code a package for solving simple Hartree-Fock electronic structure calculations.
A Hartree-Fock calculation demo for quantum chemistry
Quantum-chemistry methods in Julia. Based on Rick Muller's PyQuante2
Julia module for numerical solution of the Schrödinger equation and the DFT calculations of atoms.
Density Matrix Renormalization Group (DMRG) in Julia
Parsers and algorithms for computational chemistry logfiles (Julia bindings to the cclib Python package).
loss optimization under unitary constraint
Exploring the computational power of fermionic quantum systems. Ab initio computation and basis set optimization for electronic structure problems.
Fermi quantum chemistry program
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