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A new formalism and computer code, ASTRA (AttoSecond TRAnsitions), has beendeveloped to treat the interactions of short, intense radiation with molecules.The formalism makes extensive use of transition density matrices, computedusing a state-of-the-art quantum chemistry code (LUCIA), to efficientlycalculate the many-body inter-channel-coupling interactions required tosimulate the highly correlated electron dynamics due to atoms and moleculesexposed to attosecond laser radiation.

ASTRA, A Transition Density Matrix Approach to the Interaction of Attosecond Radiation with Atoms and Molecules