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math.NA2024★ 1 cited
On Multilevel Energy-Based Fragmentation Methods
James Barker, Michael Griebel, Jan Hamaekers
Energy-based fragmentation methods approximate the potential energy of a molecular system as a sum of contribution terms built from the energies of particular subsystems. Some such…
math.NA2016
An Adaptive Multiscale Approach for Electronic Structure Methods
Sambasiva Rao Chinnamsetty, Michael Griebel, Jan Hamaekers
In this paper, we introduce a new scheme for the efficient numerical treatment of the electronic Schrödinger equation for molecules. It is based on the combination of a many-body e…