ibDET assembles the full molecular Green's function from multiple small interacting-bath embedding calculations, delivering spectral properties with ~0.1 eV accuracy at far lower cost than full-system methods.
Equivariant Neural Network for Green’s Functions of Molecules and Materials.Phys
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Low-Scaling Many-Body Green's Function Calculations for Molecular Systems via Interacting-Bath Dynamical Embedding Theory
ibDET assembles the full molecular Green's function from multiple small interacting-bath embedding calculations, delivering spectral properties with ~0.1 eV accuracy at far lower cost than full-system methods.