Ultrafast ab Initio Quantum Chemistry Using Matrix Product States.
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DOI: 10.1021/acs.jctc.8b01291
Abstract: Ultrafast dynamics in chemical systems provide a unique access to fundamental processes at the molecular scale. A proper description of such systems is often very challenging because of the quantum nature of the problem. The… read more here.
Keywords: matrix product; chemistry; time; mps approach ... See more keywords