作者: Tomáš Mančal , Ulrich Kleinekathöfer , Volkhard May
DOI: 10.1063/1.1481856
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摘要: Laser-pulse guided ultrafast electron transfer (ET) is studied theoretically for different types of donor–acceptor systems. The pulse initiates an optical transition from the electronic ground state into excited and controls ET. computations concentrate on systems where (a) (donor) coupled to acceptor level (b) ET proceeds as internal conversion state. For both examples manifold vibrational coordinates mapped a single reaction coordinate dissipative reservoir further coordinates. Utilizing methods quantum dynamics combined with optimal control (OC) scheme, it demonstrated that fields really exist which drive in required manner. Various properties OC algorithm are discussed when applied scheme proposed avoid pinning local extremum.