768 citations · 8.4k across the 115 of their papers we have counts for
Showing 2015 · physics.comp-phShow all
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physics.comp-ph2015★ 28 cited
Real-time feedback from iterative electronic structure calculations
Alain C. Vaucher, Moritz P. Haag, Markus Reiher
Real-time feedback from iterative electronic structure calculations requires to mediate between the inherently unpredictable execution times of the iterative algorithm employed and…
physics.comp-ph2015★ 194 cited
An Efficient Matrix Product Operator Representation of the Quantum-Chemical Hamiltonian
Sebastian Keller, Michele Dolfi, Matthias Troyer +1
We describe how to efficiently construct the quantum chemical Hamiltonian operator in matrix product form. We present its implementation as a density matrix renormalization group (…