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20242026
most citedSubspace methods for the simulation of molecular response properties on a quantum computer

14 citations · 15 across the 4 of their papers we have counts for

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physics.chem-ph2025

Orbital-Optimized Unitary Coupled Cluster for Indirect Nuclear Spin-Spin Coupling Constants within a Quantum Linear Response Framework

Juliane H. Fuglsbjerg, Peter Reinholdt, Erik Kjellgren +4

We present a quantum linear response (qLR) approach within an active-space framework for computing indirect nuclear spin-spin coupling constants, a key ingredient in NMR spectra pr…