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We present a quantum dynamic study on organic lasing phenomena, which is achallenging issue in organic optoelectronics. Previously, phenomenologicalmethod has achieved success in describing experimental observation. However, itcannot directly bridge the laser threshold with molecular electronic structureparameters and cavity parameters. Quantum dynamics method for describingorganic lasing and obtaining laser threshold is highly expected. In thisLetter, we first propose a microscopic model suitable for describing the lasingdynamics of organic molecular system and we apply the time-dependentwave-packet diffusion (TDWPD) to reveal the microscopic quantum dynamicalprocess for the optical pumped lasing behavior. Lasing threshold is obtainedfrom the onset of output as a function of optical input pumping. We predictthat the lasing threshold has an optimal value as function of the cavity volumeand depends linearly on the intracavity photon leakage rate. Thestructure-property relationships between molecular electronic structureparameters (including the energy of molecular excited state, the transitiondipole and the organization energy) and the laser threshold obtained throughnumerical calculations are in qualitative agreement the experimental results,which also confirms the reliability of our approach. This work is beneficial tounderstanding the mechanism of organic laser and optimizing the design oforganic laser materials. TOC

Quantum Dynamical Approach to Predicting the Optical Pumping Threshold for Lasing in Organic Materials