Rydberg states and quantum defects of the NO molecule

Kaufmann, Karl; Nager, Christoph; Jungen, Martin

doi:10.1016/0301-0104(85)80161-0

Cited by 82 publications

(42 citation statements)

References 19 publications

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“…A single center expansion of the 6u orbital of NO about the center of mass has the following partial wave components: 94.0% s, 0.2% p, 5.5% d, and 0.1% J, in agreement with previous calculations by Kaufmann et a/. 16 The photoelectron wave functions were obtained using the iterative Schwinger method17'18 in the frozen-core approximation and retaining up to l = 6 in the partial wave expansion of the photoelectron wave function. All matrix elements were determined at R. (A 2~ + ) = 2.0095 bohr.…”

Section: Theorysupporting

confidence: 90%

Rotational branching ratios at low photoelectron energies in resonant enhanced multiphoton ionization of NO

Rudolph

McKoy

Dixit

1989

The Journal of Chemical Physics

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Section: Theorysupporting

confidence: 90%

Rotational branching ratios at low photoelectron energies in resonant enhanced multiphoton ionization of NO

Rudolph

McKoy

Dixit

1989

The Journal of Chemical Physics

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“…The A-state is not truly symmetric and the symmetry breakdown leads to an admixture of higher angular momentum character, calculated to be approximately 94% s, 5% d and 1% p [38]. To satisfy parity criteria and propensity rules [30,33,34], we expect strong transitions from the s component to np Rydberg series with N + = N , from the d component to np and nf series with N + = N , N ± 2, and weaker transitions from the p component to ns and nd series with N + = N ± 1.…”

Section: Methodsmentioning

confidence: 99%

A spectroscopic investigation of the ionisation and dissociation decay dynamics of Rydberg states of NO

et al. 2014

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Double-resonance spectroscopy has been employed to characterise the autoionising and predissociating Rydberg states of NO converging to the υ + = 0 and υ + = 1 levels of the X 1 + ground state of NO + . Below the lowest ionisation limit, we monitor the formation of the N( 2 D) predissociation product and observe a spectrum dominated by the p(N + = 0) series, with smaller contributions from the p(2) and f(2) series. Many of the lineshapes can be fit to a simple Fano line profile. Upon vibrational excitation, a competing autoionisation channel is opened and we monitor the products of both the dissociation and ionisation channels. The υ + = 1 predissociation spectrum appears much more complex than the υ + = 0 predissociation spectrum, with significant contributions from the p(0), f(2), p(2), s (1) and d(1) series. In contrast, the υ + = 1 ionisation spectrum is dominated by the p(0) and f(2) Rydberg series, with much weaker contributions from s(1), d(1) and p(2) series. The lineshapes in the υ + = 1 predissociation and autoionisation spectra are perturbed and cannot be fit to simple Fano line profiles. In some extreme cases, these perturbations result in the complete disappearance of peaks from either the autoionisation or predissociation spectrum.

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“…The basis sets were correlationconsistent polarized valence triple-ζ (cc-pVTZ) basis sets without f function, as proposed by Dunning, namely [4s3p2d] [35], plus Rydberg functions [5s5p] [36] placed on the N c atom for describing n = 3, 4, 5 (s and p).…”

Section: Computational Detailsmentioning

confidence: 99%

Symmetry and vibrationally resolved absorption spectra near theN Kedges ofN2O: Experiment and theory

et al. 2011

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This is the published version of a paper published in Physical Review A. Atomic, Molecular, and Optical Physics. Citation for the original published paper (version of record):Ehara, M., Horikawa, T., Fukuda, R., Nakatsuji, H., Tanaka, T. et al. (2011) Symmetry and vibrationally resolved absorption spectra near the N K edges of N2O: experiment and theory.Physical Review A. Atomic, Molecular, and Optical Physics, 83(6) In this study, angle-resolved energetic-ion yield spectra were measured in the N 1s excitation region of N 2 O. A Franck-Condon analysis based on ab initio two-dimensional potential energy surfaces of the coreexcited Rydberg states, which were calculated by the symmetry-adapted cluster-configuration interaction method, reproduced observed vibrational excitations specific to the individual Rydberg states well and enabled quantitative assignments. Geometric changes in the terminal nitrogen N t 1s and the central nitrogen N c 1s excited states with respect to the 3pπ , 3pσ , and 4sσ transitions were analyzed. The coupling of these valence and Rydbergs states was examined based on the second moment analysis. Irregular Rydberg-state behavior in the N c 1s −1 4sσ state was observed.

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Rydberg states and quantum defects of the NO molecule

Cited by 82 publications

References 19 publications

Rotational branching ratios at low photoelectron energies in resonant enhanced multiphoton ionization of NO

Rotational branching ratios at low photoelectron energies in resonant enhanced multiphoton ionization of NO

A spectroscopic investigation of the ionisation and dissociation decay dynamics of Rydberg states of NO

Symmetry and vibrationally resolved absorption spectra near theN Kedges ofN2O: Experiment and theory

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