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Einstein coefficients and oscillator strengths for low lying state of CO molecules

机译:Einstein系数和CO分子低位状态的振荡器强度

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Einstein Coefficients and Oscillator Strengths for different state of CO molecule have been calculated using LEROY'S LEVEL program and MOLCAS ab initio code. Using the wave function derived from Morse potential and transition dipole moment obtained from ab initio calculation, The potential energy functions were computed for these states using the spectroscopic constants. The Morse potential of these states and electronic transition dipole moment of the transition calculated in a recent ab initio study have been used in LEVEL program to produce transition dipole matrix element for a large number of bands. Einstein Coefficients have also been used to compute the radiative lifetimes of several vibrational levels and the calculated values are compared with other theoretical results and experimental values.
机译:使用LEROY的级别计划和MOLCAS AB INITIO代码计算了不同CO分子的EINSTEIN系数和振荡器强度。使用从AB Initio计算获得的MORSE电位和转换偶极矩导出的波函数,使用光谱常数计算这些状态的潜在能量函数。在最近的AB Initio研究中计算的这些状态和电子转换偶极矩的莫尔斯潜力已经用于水平程序,以产生大量频带的转换偶极矩阵元件。爱因斯坦系数也已被用于计算几种振动水平的辐射寿命,并将计算的值与其他理论结果和实验值进行比较。

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