Derives static effective Hamiltonians via cRPA and mRPA downfolding with double-counting corrections and compares performance on benzene ground state and bond dissociation curves.
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QAssemble is a new pure-Python package for quantum many-body calculations that achieves up to 60x speedup via vectorization and discrete Lehmann representation while validating on graphene.
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Static Effective Hamiltonians for Molecular Systems through RPA-based downfolding
Derives static effective Hamiltonians via cRPA and mRPA downfolding with double-counting corrections and compares performance on benzene ground state and bond dissociation curves.
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QAssemble: A Pure Python Package for Quantum Many-Body Theory
QAssemble is a new pure-Python package for quantum many-body calculations that achieves up to 60x speedup via vectorization and discrete Lehmann representation while validating on graphene.