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Hyperfine structures and the field effects of IBr molecule in its rovibronic ground state are theoretically studied by diagonalizing the effective Hamiltonian matrix. Perturbations of high-J levels up to 4 are taken into account when studying the hyperfine sub-levels of the J = 0 level, and thus, an 80×80 matrix is constructed and solved. Some of the experimentally absent molecular constants are computed using Dalton program. Our results will be helpful in the experimental investigation of manipulation and further cooling of cold IBr molecules. 相似文献
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A global analysis of the ro-vibrational spectra of 19 bands in the comet-tail (A2Πi-X2Σ+) system of the 12C16O+ cation is presented, and the precise molecular constants of the vibrational levels involved are obtained via a weighted nonlinear least-squares fitting procedure. Furthermore, the resultant precise equilibrium molecular constants enable us to achieve accurate Rydberg-Klein-Rees (RKR) potential curves for both the A and X states, yielding the accurate Franck-Condon factor and band origin of each band in this system. 相似文献
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Stark effect of the hyperfine structure of ICl in its rovibronic ground state: Towards further molecular cooling
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Hyperfine structures of ICl in its vibronic ground state due to the nuclear spin and electric quadruple interactions are determined by diagonalizing the effective Hamiltonian matrix. Furthermore, the Stark sub-levels are precisely determined as well. The results are helpful for electro-static manipulation(trapping or further cooling) of cold ICl molecules. For example, an electric field of 1000 V/cm can trap ICl molecules less than 637 μK in the lowest hyperfine level. 相似文献
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The linear correlated constants AD (centrifugal correction of the spin-orbit coupling constant) and γ (the spinrotation constant) involved in the second negative (A^2 Ⅱu-X^2 Ⅱg) system of O2^+ are determined by nonlinear least-squares fitting the spectra of 16 O2^+ and 18 0+ using the isotopic effect. In addition, the molecular constants of the other O2^+ isotopologues are predicted. 相似文献
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