Semiclassical Monte Carlo Path Integration in the Real-Time Domain:A Classical Trajectory Method for Describing Coherent Ultrashort Phototrasitins of Molecules

概要

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For intuitive as well as quantitative understanding of femto-second molecular phototransi-tions, which are experimentally realized by ultrashort pulse laser, we have developed a convenient classical trajectory rtaethod: sernicJassica1 Monte Cargo path integration based on thereal-time propagator of Van Vleck and GutzwilJer. By cotnbining this semiclassical propagatorwith the perturbation theory of the light-naoJeeule interaction, we have obtained a senaiclassicalpath-integral formalism of the real-titne molecular phototransitions based on the semiclassicalFranck-Condom condition. The present computational scheme consists of the Monte Carlo sarn-plings of the initial values, subseqtuently the classical tra.jectory computations, the qtranttrnajump to another potential sturf'ace and the final superposition of the setniclassical a?mplitudes.Numerical tests were done svrccessfully for a one-diunensional realistic sarnple, i.e., the real-tinaephotoexeitation of I3X'U.; : B 'II . For multi-dimensional applications, we briefly mentionO f u.a positive prospect by dernonstrating a senaiclassical quantization of weak chaos.
社団法人日本物理学会の論文
1997-05-15