1989
DOI: 10.1016/0009-2614(89)87368-3
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The diode laser spectrum of thallium hydride (205TlH and 203TlH) in its ground electronic state

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Cited by 39 publications
(15 citation statements)
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“…Further refinement of the term energy and spectroscopic constants of the A0 + state is possible by combining the ab initio transition energies as functions of the internuclear separation with accurate Rydberg-Klein-Rees (RKR) ground-state potential energy function derived from the spectroscopic constants reported in [90] (the RKR1 program by LeRoy [91] was employed). Resulting values obtained in the FS-RCCSDT-corrected calculation are in excellent agreement with the experimental ones; note that this result was obtained for the smallest possible model space for which the FS-RCCSD model yields very poor results.…”
Section: Electronic States Of Tlhmentioning
confidence: 99%
“…Further refinement of the term energy and spectroscopic constants of the A0 + state is possible by combining the ab initio transition energies as functions of the internuclear separation with accurate Rydberg-Klein-Rees (RKR) ground-state potential energy function derived from the spectroscopic constants reported in [90] (the RKR1 program by LeRoy [91] was employed). Resulting values obtained in the FS-RCCSDT-corrected calculation are in excellent agreement with the experimental ones; note that this result was obtained for the smallest possible model space for which the FS-RCCSD model yields very poor results.…”
Section: Electronic States Of Tlhmentioning
confidence: 99%
“…TlH is small enough to lend itself to even the more demanding methods, yet it still presents many of the challenges found in larger systems. Also, reliable spectroscopic data are available [1,2] for comparison with computational results. The various computational results for this system have been reviewed by Hess and Marian [3].…”
Section: Introductionmentioning
confidence: 99%
“…With increased precision and resolution of spectral measurements, it became clear that this approach works satisfactorily for only poorly resolved bands. For highly resolved spectra, particularly those obtained with Fourier transform spectrometers and diode lasers, serious discrepancy between theory and experiment is reported. In adapting of Dunham's method to contemporarily measured precise spectral data, several improvements are proposed; they include introduction of representation other than that in eq 2 for internuclear potential energy, adiabatic and nonadiabatic rotational (vibrational) corrections to BO eigenenergies eq 3, and application of other methods to solve Schrödinger's equation (1).…”
Section: Introductionmentioning
confidence: 99%
“…The proposed iterative procedure to evaluate nonadiabatic vibrational parameters s i>0 a(b) is applied to LiH. As input data, we used 543 pure rotational and vibration-rotational transitions of 7 Li 1 H, 6 Li 1 H, 7 Li 2 H, and 6 Li 2 H, including ten rotational lines, 44 151 rotational and 377 vibration-rotational lines, 11 and 5 unduplicated vibration-rotational lines 45 with ∆V ) 0, 1 up to V ) 4 and J ) 30.…”
mentioning
confidence: 99%