1.5k citations · 1.5k across the 4 of their papers we have counts for
4 papers
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…
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…
Systematically Improvable Excitonic Hamiltonians for Electronic Structure Theory
Anthony D. Dutoi, Yuhong Liu
We show here that the Hamiltonian for an electronic system may be written exactly in terms of fluctuation operators that transition constituent fragments between internally correla…
Simulated Quantum Computation of Molecular Energies
Alán Aspuru-Guzik, Anthony D. Dutoi, Peter J. Love +1
The calculation time for the energy of atoms and molecules scales exponentially with system size on a classical computer but polynomially using quantum algorithms. We demonstrate t…