Radiative Transition Probabilities for all Vibrational Levels in the $X^{1}\sum ^{+}$ State of HF

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1991

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Ohio State University

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With the complete potential energy curve and dipole moment function at all internuclear distances R, the calculation of dipole moment matrix elements is possible for any vibration-rotation transition desired. we use an improved potential energy curve for the X1∑+ state of HF. It is based on the spectroscopically-determined potential of Coxon and Hajigeorgiou1 plus the proper long-range behavior determined by including both dispersion and exchange effects.2 The dipole moment function of this work is obtained from CASSCF/MRCI calculations for all R. We report dipole moment absorption matrix elements and Einstein A spontaneous emission coefficients for the vibration rotation bands within the X1∑+ state of HF for all v - 0 - 19 observed levels and the v - 20 unobserved level. $^{1} $ J. A. Coxon and P. G. Hajigeorgiou, J. Mol. Spectrosc. 142, 254 (1990). 2 W. T. Zemke, W. C. Stwalley, J. A. Coxon and P. G. Hajigeorgiou, Chem. Phys. Lett. 177, 412 (1991).""

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Author Institution: Department of Chemistry, Wartburg College; Center for Laser Science and Engineering, and Departments of Chemistry and Physics, University of Iowa; Ames Research Center, NASA; Laser Applications Research Center, Houston Area Research Center; Department of Chemistry, Rice University

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