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physics.atom-ph2022
ASTRA, A Transition Density Matrix Approach to the Interaction of Attosecond Radiation with Atoms and Molecules
Juan M Randazzo, Carlos Marante, Siddhartha Chattopadhyay +4
A new formalism and computer code, ASTRA (AttoSecond TRAnsitions), has been developed to treat the interactions of short, intense radiation with molecules. The formalism makes exte…
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…