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physics.chem-ph2022
Capabilities and Limits of the Unitary Coupled-cluster Approach with Generalized Two-body Cluster Operators
Andreas Köhn, Jeppe Olsen
Unitary cluster expansions of the electronic wavefunction have recently gained much interest because of their use in conjunction with quantum algorithms. In this contribution, we i…
physics.chem-ph2016★ 56 cited
Quantum tunneling during interstellar surface-catalyzed formation of water: the reaction H + HO HO + OH
Thanja Lamberts, Pradipta Kumar Samanta, Andreas Köhn +1
The final step of the water formation network on interstellar grain surfaces starting from the H + O route is the reaction between H and HO. This reaction is known to h…