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physics.chem-ph2025
Optimization of Fragment State Spaces within the Excitonic Renormalization Framework
Marco Bauer, Patrick Norman, Andreas Dreuw +1
The recently proposed excitonic renormalization framework presents an alternative ansatz to elec- tronic structure theory of weakly interacting fragments. It makes use of absolutel…
physics.chem-ph2024
Series Expansion of a Scalable Hermitian Excitonic Renormalization Method
Marco Bauer, Andreas Dreuw, Anthony D. Dutoi
Utilizing the sparsity of the electronic structure problem, fragmentation methods have been researched for decades with great success, pushing the limits of ab initio quantum chemi…