Oscillator Strengths for Rydberg States in the Polar Molecule NeH

Alcheev, P.G.; Chernov, V. E.; Zon, B. A.

doi:10.1006/jmsp.2001.8465

Cited by 24 publications

(20 citation statements)

References 28 publications

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“…These matrix elements were calculated using the Fues model potential [34]. This method proved its efficiency for the calculation of atomic and molecular matrix elements of single [35] and higher [36] orders.…”

Section: Resultsmentioning

confidence: 99%

Time-resolved Fourier-transform infrared emission spectroscopy of Au in the1800–4000−cm−1region: Rydberg transitions

et al. 2010

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Time-resolved Fourier-transform infrared spectroscopy was applied for observations of the emission arising after irradiation of a Au target with a pulsed nanosecond ArF (λ = 193 nm) laser. A high-repetition-rate laser (1.0 kHz) with an output energy of 15 mJ was focused on a rotating metal target inside a vacuum chamber (average pressure 10 −2 Torr). The infrared emission spectra were observed in the 1800-4000 cm −1 spectral region with a time profile showing maximum emission intensity in 9-11 µs after a laser shot. Seven prominent lines are reported; most of them are identified as being due to transitions between low Rydberg nl states of Au with n = 5-10 and l = 0-3. An alternative identification (6f 5/2 → 7d 3/2 ) is given for the 2518.489 cm −1 line previously classified as 8d 5/2 → 5f 5/2 . On the basis of the measured lines, three f levels of the Au atom are reported and revised values are given for six other levels.

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Section: Resultsmentioning

confidence: 99%

Time-resolved Fourier-transform infrared emission spectroscopy of Au in the1800–4000−cm−1region: Rydberg transitions

et al. 2010

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“…It is possible to assign many of the observed bands in the spectra of rare-gas hydrides in terms of case ͑b͒ states, e.g., 2 ⌺ ϩ , 2 ⌸. However, in other cases as, for example, bands arising from the np and the n f states of KrD 9,10 and also of ArH and ArD, 11 it is necessary to describe these states in terms of case ͑d͒ l-complexes in order to explain the rotational structure of the observed spectra.…”

Section: Introductionmentioning

confidence: 99%

Theoretical ab initio study of the electronic states of KrH and KrH+: Quantum defect and complex coordinate calculations on the Rydberg states of KrH

Petsalakis

Theodorakopoulos

Buenker

2003

The Journal of Chemical Physics

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Potential energy curves have been calculated for the ground and excited electronic states of KrH and the cation KrH ϩ by ab initio configuration interaction calculations using effective core potentials for Kr. Quantum defect functions have been determined from the ab initio potentials of the low-lying Rydberg states of KrH and potential energy curves have been generated for higher n (s,p,d) Rydberg states. The resulting bound-bound transition energies are in excellent agreement with experimental data. The interaction of the 5p B 2 ⌸ state with the 5s and 5p A 2 ⌺ and C 2 ⌺ ϩ states and their predissociation by X 2 ⌺ ϩ has been treated by multistate complex scaling calculations for both KrH and KrD. Much larger predissociation widths are obtained in KrH than in KrD, in agreement with experimental observations.

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“…It should be expected that this accuracy does not sufficiently decrease for near-resonant frequencies since the behavior of the GF near resonances is determined by (i) the position of a resonance which is taken from the experimental data and (ii) by the residue in the resonance which is determined by the product of the corresponding bound state's wave functions [in the case of low-excited states corresponding to first or second resonances, these residues are determined by ab initio wave functions in Eq. (25)]. The overall accuracy of our calculation should also not decrease when increasing the number N of the substituted states since GF should then converge to its "ab initio" value.…”

Section: Resultsmentioning

confidence: 99%

“…The oscillator strengths of excimer Rydberg molecules were calculated with the help of the dipole-spherical functions in Refs. [25,26]. These functions were also used for studying the photodetachment of atomic anions in a strong field [27], and for studying the single-photon photodetachment of dipole-bound molecular anions [28,29].…”

Section: Introductionmentioning

confidence: 99%

Molecular polarizability in quantum defect theory: polar molecules

et al. 2010

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The reduced-added Green's function technique in the quantum defect theory combines the advantages of analytical and ab initio methods in calculating frequency-dependent (dynamic) polarizabilities of atoms and molecules, providing an exact account for the high-excited and continuum electronic states. In the present paper this technique is modified to take into account the long-range dipole potential of a polar molecule core. The method developed is applied to calculation of the dynamic polarizability tensors of alkali-metal hydrides LiH and NaH as well as to some fluorides (CaF and BF) in the frequency range up to the first resonances. The results are in good agreement with ab initio calculations available for some frequencies.

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Oscillator Strengths for Rydberg States in the Polar Molecule NeH

Cited by 24 publications

References 28 publications

Time-resolved Fourier-transform infrared emission spectroscopy of Au in the1800–4000−cm−1region: Rydberg transitions

Time-resolved Fourier-transform infrared emission spectroscopy of Au in the1800–4000−cm−1region: Rydberg transitions

Theoretical ab initio study of the electronic states of KrH and KrH+: Quantum defect and complex coordinate calculations on the Rydberg states of KrH

Molecular polarizability in quantum defect theory: polar molecules

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