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1.
J Chem Phys ; 137(8): 084303, 2012 Aug 28.
Article in English | MEDLINE | ID: mdl-22938229

ABSTRACT

The energies of the J = 2 ortho levels of the v = 0 to 6 Rydberg np singlet series of molecular hydrogen with absolute intensities of the R(1) and P(3) absorption lines were measured by a high-resolution synchrotron radiation experiment and calculated through a full ab initio multi-channel quantum defect approach.

2.
J Chem Phys ; 136(13): 134301, 2012 Apr 07.
Article in English | MEDLINE | ID: mdl-22482546

ABSTRACT

The energies and the widths of the J = 1 para levels of the v = 0 to 6 Rydberg np singlet series of molecular hydrogen with absolute intensities of the R(0) and P(2) absorption lines were measured by a high - resolution synchrotron radiation experiment and calculated through a full ab initio multichannel quantum defect theory approach. On the basis of the agreement between theory and experiment, 31 levels were either reassigned or assigned for the first time.

3.
J Chem Phys ; 135(14): 144302, 2011 Oct 14.
Article in English | MEDLINE | ID: mdl-22010713

ABSTRACT

The energies, widths and absolute intensities of the P(1) v'' = 0, J'' = 1 absorption transitions of H(2) have been measured in the spectral range of 81-75 nm using monochromatized synchrotron radiation. This work completes and extends previous observations, in particular those of Herzberg and Jungen [J. Mol. Spectrosc. 41, 425 (1972)]. Ab initio multichannel quantum defect theory (MQDT) is used to corroborate the spectral analysis of the experimental data. Line intensities and decay widths are also calculated using MQDT.

4.
Phys Rev Lett ; 104(24): 243001, 2010 Jun 18.
Article in English | MEDLINE | ID: mdl-20867297

ABSTRACT

Quantum mechanical interference between different pathways in inner-shell resonance excitation-deexcitation spectra is a realization of a double-slit experiment on the atomic scale. If the intermediate inner-shell resonances are of different symmetries, this interference is symmetry forbidden in the solid-angle-averaged or magic-angle-recorded deexcitation spectra. It has, however, been suggested that interference may by observable in off-magic-angle-recorded spectra. Here, we prove this interference in angularly resolved deexcitation spectra of the 2σ(-1)2π(2)(2Δ,2Σ±) resonances of N*O by a quantitative comparison between ab initio calculations and experiment.

5.
J Chem Phys ; 132(20): 204303, 2010 May 28.
Article in English | MEDLINE | ID: mdl-20515091

ABSTRACT

It is suggested that the main mechanism for neutral dissociation of the I, I('), and I(") vibronic progressions in O(2) is due to their interaction with the vibrational continuum of the 1pi(u) (-1)(A (2)Pi(u))3ssigma(g) (3)Pi(u)(v(epsilon)) Rydberg state (J state) leading to the formation of the O(2p(4) (3)P)+O( *)(2p(3)((4)S)3s (3)S) fragments. In order to justify this, the O I 2p(3)((4)S)3s (3)S-->2p(4) (3)P fluorescence emission cross section following the neutral dissociation of the O(2) 1pi(u) (-1)(a (4)Pi(u))4ssigma(g)/3ddelta(g)/3dsigma(g) (3)Pi(u)(v) Rydberg states is simulated in the exciting-photon energy range of 14.636-16.105 eV. The results of high-resolution measurements (H. Liebel et al., J. Phys. B 34, 2581 (2001)) can be reproduced if a small adjustment of the computed potential curve of the J state is applied. Non-Franck-Condon resonant intensity distributions of the I, I('), and I(") progressions observed in the experiment are qualitatively explained by the presence of the O(2) 1pi(g) (-1)(X (2)Pi(g))npsigma(u)/nfsigma(u)/nfdelta(u) (3)Pi(u) perturber states. Present calculations allow to decide between two different assignments of the I, I('), and I(") states available in literature.

6.
Phys Rev Lett ; 104(18): 183002, 2010 May 07.
Article in English | MEDLINE | ID: mdl-20482170

ABSTRACT

The absolute cross sections for the competing decay channels fluorescence, dissociation, and ionization of photoexcited long-lived superexcited H(2) molecular levels have been measured from the ionization threshold of H(2) up to the H(1s)+H(n=3) dissociation limit. The total and partial natural widths of these levels have been determined. Good agreement is found with first principles calculations carried out by multichannel quantum defect theory. The calculations reproduce the balance between the competing decay processes as well as its substantial level-to-level evolution.

7.
J Chem Phys ; 128(9): 094312, 2008 Mar 07.
Article in English | MEDLINE | ID: mdl-18331098

ABSTRACT

The absorption spectrum of the H(2) molecule was studied at high resolution in the 81-72 nm spectral range. A detailed analysis of the D(') (1)Pi(u)-->X (1)Sigma(g) (+) electronic band system is reported. In the spectrum, more than 70 new lines were assigned. For wavelengths longer than 75 nm, the D(') (1)Pi(u) (+) and (1)Pi(u) (-) components show a clearly different behavior: Tauhe (1)Pi(u) (+) one dissociates into H(1s)+H(n=2) whereas the (1)Pi(u) (-) one leads to molecular fluorescence. For shorter wavelengths, both components are predissociated into H(1s)+H(n=3). The predissociation yields, the dissociation widths, and the absolute values of the transition probabilities were measured over the vibrational progression from v(')=3 to 17, i.e., up to the dissociation limit. The comparison between these absolute transition probabilities and the values calculated in the adiabatic and nonadiabatic approximations demonstrates clearly the importance of nonadiabatic couplings.

8.
J Chem Phys ; 126(14): 144303, 2007 Apr 14.
Article in English | MEDLINE | ID: mdl-17444708

ABSTRACT

The transition probabilities, the dissociation widths, and the associated Fano parameters for rovibronic lines with J"=0,...,3 of the absorption bands of the B"B 1Sigmau+ state out of the X 1Sigmag+ v"=0 ground state were measured over the complete vibrational progression, showing clearly that only the inner-well state with B" 4psigma character can absorb vuv light and predissociate efficiently. The absolute values of these transition probablities, predissociation widths, and Fano parameters were found to agree well with ab initio calculations if one takes into account that the calculations neglect nonadiabatic couplings.

9.
J Chem Phys ; 126(9): 094306, 2007 Mar 07.
Article in English | MEDLINE | ID: mdl-17362108

ABSTRACT

The absolute values for the cross sections of the ionization continuum of H2 had been measured at low energy (15.3-17.2 eV) Both absorption and ionization spectra were simultaneously recorded with linear response and absolute values, using a 10 m normal incidence monochromator installed on a synchrotron undulator beamline. The vibrational thresholds can be clearly seen as steps in the experimental data. The agreement between experimental values and theoretical ones is very good except around the first and second vibrational thresholds where the experimental data exceed the theoretical ones.

10.
Phys Rev Lett ; 90(7): 073001, 2003 Feb 21.
Article in English | MEDLINE | ID: mdl-12633225

ABSTRACT

The energy dependencies of alignment parameters A20 for KrII 4p(4)5p states after the Auger decay of the KrI 3d(9)np resonances were investigated theoretically and experimentally for the first time in the Raman regime with the bandwidth of the exciting radiation (deltaE(FWHM)=20 meV) smaller than the natural width of the resonances (Gamma approximately 80 meV). The observed energy dependence is due to the in-terference between the different resonance channels and the direct photoionization channel. A strong energy dependence for both the orientation parameter O10 and the photoelectron angular distribution parameter beta(el) is also predicted.

14.
Infect Immun ; 57(3): 673-8, 1989 Mar.
Article in English | MEDLINE | ID: mdl-2917779

ABSTRACT

The experimental infection of mice with Yersinia enterocolitica serotype O8 was investigated in a quantitative and histological study. The course of bacterial penetration and spreading was precisely determined by immunohistochemical staining. After oral administration, the bacteria passed the epithelial barrier of the ileum and spread into the lamina propria. By preference they entered Peyer's patches, which were about 1,000 times more heavily colonized than the surrounding epithelium of a comparable surface area. The bacteria proliferated in the follicles, from which they spread into the lamina propria of the villi. At either site most of the bacteria multiplied extracellularly, with only a small percentage observed to be present within the phagocytes. The bacteria did not appear to be able to pass the intact basement membrane; hence, the integrity of the basement membrane is likely to play a role in determining the route of entry and limit of spread of Y. enterocolitica infection.


Subject(s)
Enteritis/microbiology , Intestinal Mucosa/microbiology , Yersinia enterocolitica/pathogenicity , Animals , Basement Membrane/microbiology , Enteritis/immunology , Enteritis/pathology , Enteritis/physiopathology , Mice , Peyer's Patches/microbiology , Plasmids , Yersinia enterocolitica/immunology , Yersinia enterocolitica/ultrastructure
15.
Phys Rev Lett ; 61(24): 2744-2747, 1988 Dec 12.
Article in English | MEDLINE | ID: mdl-10039211
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