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Basis Expansion Leaping: A New Method to Solve the Time-Dependent Schrödinger Equation for Molecular Quantum Dynamics
2013
Physical Review Letters
A wide variety of molecular systems that have recently come into the reach of experimental and theoretical investigation is dominated by quantum phenomena. However, even state of the art quantum propagation techniques are either unsuitable for general application to molecular systems with strong interference and tunneling characteristics or are computationally prohibitive for systems with more than a few degrees of freedom. In this Letter, we introduce a novel quantum propagation technique with
doi:10.1103/physrevlett.110.263202
pmid:23848873
fatcat:bilwk4pduzhhfb6nbs752yh6xq