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  • 1
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    High groundwater levels: Processes, consequences, and management (2022)
    John Wiley & Sons, Inc. | Hoboken, USA
    Details
    Publication Date: 2022-10-06
    Description: In recent years, the issue of high groundwater levels has caught attention. Unfavorable consequences of high groundwater levels are especially damage to buildings, infrastructure, and the environment. Processes that lead to high groundwater levels are hydrological (heavy or extended rainfall and flood events), or anthropogenic (reduced groundwater extractions, interaction with sewer networks, hydraulic engineering measures, structural interventions in the water balance, and mining activities). Several different map products have been prepared for the information of inhabitants and for planning purposes, and also methods for damage and risk analysis related to high groundwater levels have been developed. Groundwater management measures and structural measures are available to reduce the risk related to high groundwater levels. An operational management system could be combined from existing components, but operational forecasting systems for high groundwater levels are—different to flood forecasting systems—not yet common practice. A better understanding of the processes and the development of integrated approaches for modeling, design, planning, forecasting, and warning, as well as improvement of interdisciplinary collaboration between different organizations, are recommendations for the future. This article is categorized under: Engineering Water 〉 Engineering Water Water and Life 〉 Conservation, Management, and Awareness Science of Water 〉 Hydrological Processes Science of Water 〉 Water Extremes
    Description: Pumping water from a basement during the Neiße flood 2010 in Saxony. The clear water indicates that the basement flooding originates from groundwater (photo: Reinhard Schinke).
    Keywords: ddc:551.49
    Language: English
    Type: doc-type:article
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    CITATION GEO-LEO
  • 2
    Electronic Resource
    Electronic Resource
    Rotational state distributions following direct photodissociation of triatomic molecules: test of classical models (1988)
    s.l. : American Chemical Society
    The @journal of physical chemistry 〈Washington, DC〉 92 (1988), S. 3195-3201 
    Details
    Source: ACS Legacy Archives
    Topics: Chemistry and Pharmacology , Physics
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1021/j100322a031
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  • 3
    Electronic Resource
    Electronic Resource
    Angular momentum correlation in the photodissociation of hydrogen peroxide at 193 nm (1988)
    s.l. : American Chemical Society
    The @journal of physical chemistry 〈Washington, DC〉 92 (1988), S. 4015-4019 
    Details
    Source: ACS Legacy Archives
    Topics: Chemistry and Pharmacology , Physics
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1021/j100325a003
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  • 4
    Electronic Resource
    Electronic Resource
    The direct photodissociation of ClNO(S1): An exact three-dimensional wave packet analysis (1991)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 95 (1991), S. 6496-6507 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: We present the results of a three-dimensional wave packet study on the photodissociation of ClNO through excitation of the first singlet state S1. The calculations employ an ab initio potential energy surface depending on the Cl–N and N–O bond coordinates and the ClNO bending angle. By expanding the wave packet in terms of the eigenfunctions of the NO rotor, the time-dependent Schrödinger equation is transformed into a coupled set of 60 two-dimensional partial differential equations which are solved by discretization on a grid. The wave packet yields the absorption spectrum and all partial dissociation cross sections for producing the NO fragment in a particular vibrational–rotational state (nj). The photodissociation of ClNO via the S1 state is a relatively fast process and the necessary propagation time is on the order of 50 fs. The calculated data agree well with recent experimental results. For the first time, we can directly compare the wavelength dependence of partial photodissociation cross sections for a single vibrational–rotational fragment state state with experiment. Our results suggest that the photodissociation of ClNO(S1) proceeds mainly adiabatically for the vibrational degree of freedom.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.461520
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  • 5
    Electronic Resource
    Electronic Resource
    A time-dependent interpretation of the absorption spectrum of CH3ONO (1990)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 92 (1990), S. 1-13 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: We use time-dependent quantum theory to interpret the absorption spectrum of CH3ONO in terms of the nuclear motion on the upper potential surface. The model uses one excited potential energy surface and two nuclear coordinates: the NO stretch and the CH3O–NO bond. The latter bond breaks upon excitation leading to dissociation. The spectrum consists of a broad band and two progressions corresponding to predissociation resonances. The band width is inverse proportional to the time scale on which the NO bond length increases to adjust to the longer equilibrium bond length of the upper potential energy surface. The progression of intense narrow resonances corresponds to the NO stretching motion. The other progression is due to oscillations along the reaction coordinate of the wave function temporarily trapped in the predissociation well. Our calculations show that important dynamic information can be obtained by "smearing off'' the high resolution spectrum to generate a series of low resolution versions which reveal the time scales on which various spectral features develop in the spectrum. We also show that time-dependent theory can be used efficiently to calculate the lifetime of relatively long lived resonances.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.458463
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  • 6
    Electronic Resource
    Electronic Resource
    Photodissociation dynamics of water in the second absorption band. II. Ab initio calculation of the absorption spectra for H2O and D2O and dynamical interpretation of "diffuse vibrational'' structures (1989)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 90 (1989), S. 7150-7163 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: We calculated the absorption spectra of H2O and D2O in the second absorption band around 128 nm using a two-dimensional ab initio potential energy surface for the B˜(1A1) electronic state. Nonadiabatic coupling to the lower states A˜ and X˜ and the vibrational degree of freedom of the OH fragment are completely neglected. Despite these limitations the agreement with the measured spectra is very satisfactory. The overall shape, the width, and the energetical position of the maximum are well described. Most important, however, is the reproduction of the diffuse vibrational structures superimposed on the broad background. It is demonstrated that this structure is not caused by pure bending-excitation in the B˜ state with associated bending quantum numbers ν'2=1,2,3,... as originally assumed. Because the equilibrium HOH bending angle and the equilibrium H–OH distance are very different in the ground and in the excited state, the main part of the spectrum and especially the diffuse structures occur at high energies within the continuum of the B˜ state potential energy surface. Within the time-dependent approach, based on the autocorrelation function and simple classical trajectories, it is shown that the diffuse structures originate from the temporary excitation of a large amplitude bending and stretching oscillation embedded in the continuum (short lived quasiperiodic orbits). The vibrational period of this mode is approximately 40 fs and the lifetime of the trapped trajectories is on the average one vibrational period.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.456680
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  • 7
    Electronic Resource
    Electronic Resource
    Photodissociation of ClNO in the S1 state: A quantum-mechanical ab initio study (1990)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 93 (1990), S. 1098-1106 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: We investigated the photodissociation of ClNO via the S1 electronic state using a three-dimensional (3D) ab initio potential-energy surface (PES). The dissociation is found to be fast and direct. In the Franck–Condon (FC) region the slope of the potential along the dissociation path is relatively small giving rise to narrow partial absorption peaks. The total absorption spectrum therefore exhibits a broad vibrational structure which is in perfect agreement with recent measurements. The vibrational excitation of the NO fragment is small and can be qualitatively described within the adiabatic approximation. It is found to be very sensitive to the vibrational FC factor in the transition region. The rotational state distribution of NO is highly inverted with a peak around j=30. It is readily explained by the rotational reflection principle. The experimental results are satisfactorily reproduced by our calculations which underlines the overall quality of the calculated PES. Minor adjustments are necessary, however, to quantitatively reproduce the vibrational branching ratio.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.459173
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  • 8
    Electronic Resource
    Electronic Resource
    Rotational state distributions following the photodissociation of Cl–CN: Comparison of classical and quantum mechanical calculations (1990)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 92 (1990), S. 2397-2400 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: We report exact quantum mechanical close-coupling calculations for the photodissociation of Cl–CN using the ab initio potential of Waite and Dunlap. We find that the simple classical calculations of Barts and Halpern based on the rotational reflection principle agree very nicely with the exact rotational state distributions. Furthermore, it is shown that the impulsive model fails severely to account for the high degree of rotational excitation in the photodissociation of Cl–CN.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.457982
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  • 9
    Electronic Resource
    Electronic Resource
    Diffuse vibrational structures in photoabsorption spectra: A comparison of CH3ONO and CH3SNO using two-dimensional ab initio potential energy surfaces (1989)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 91 (1989), S. 2016-2029 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: We investigated the photodissociation of methyl nitrite (CH3 ONO) and methyl thionitrite (CH3 SNO) within the first absorption band (S1 ←S0 ). The calculations were based on a two-dimensional model including the O–NO/S–NO and N=O bond distances as active coordinates. The S1 -potential energy surfaces were calculated with quantum chemical methods and the dynamical calculations were performed exactly within the time-independent approach. The main emphasis is on the origin of diffuse vibrational structure in the photoabsorption spectrum of both molecules. A low potential barrier of 0.086 eV along the O–NO dissociation coordinate in CH3 ONO prevents immediate dissociation and leads to an initial state dependent lifetime for the excited complex of 100–250 fs corresponding to 3–8 NO vibrational periods. CH3 ONO decays nonadiabatically via vibrational predissociation. The absorption spectrum of CH3 ONO is dominated by narrow Feshbach-like scattering resonances which can be characterized by two quantum numbers, m and n*: m=0 and 1 specifies the quanta of excitation in the O–NO bond and n*=0,1,2,... specifies the excited vibrational level of the N=O bond. The potential barrier is absent in CH3 SNO and the dissociation is direct on the time scale of about 10 fs corresponding to only one third of a NO vibrational period. Nevertheless, the absorption spectrum exhibits diffuse vibrational structures. The shape of the individual absorption peaks is determined by the classical Franck–Condon reflection principle. The dissociation of CH3 SNO is primarily adiabatic which leads to a pronounced energy dependence of the final NO vibrational state distribution. The diffuse structures originate in both cases from excitation of the NO stretching vibration. In order to make contact with time-dependent theory we calculated the autocorrelation function of the time-dependent wave function by inverse Fourier transformation of the energy-dependent spectra. The agreement with available experimental data for both molecules is quite satisfactory. This includes the energy spacing of the vibrational structure, the overall shape of the absorption spectrum, and thelifetime of the excited complex.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.457061
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  • 10
    Electronic Resource
    Electronic Resource
    Photodissociation of CH3ONO in the first absorption band: A three-dimensional classical trajectory study (1989)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 91 (1989), S. 194-204 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The photodissociation of cis-CH3 ONO following excitation into the first absorption band near 350 nm is investigated by means of classical trajectories and an ab initio potential energy surface. The calculations include the O–N coordinate, the N=O coordinate, and the ONO bending angle as variables whilst the internal degrees of freedom of the CH3 O moiety are kept fixed. The calculated lifetimes range from 120 to 410 femtoseconds for excitation of the n*=4 to n*=0 vibrational states of the terminal NO group in the intermediate complex. They agree well with the lifetimes estimated from the anisotropy parameter β. The ONO bending degree of freedom has only a small effect on the lifetime of the complex. The final vibrational state (n) distribution of the NO fragment exhibits a systematic energy dependence which manifests itself in a propensity for the excitation of level n=n*−1 that is in excellent agreement with the measurement. Two-dimensional calculations for a fixed ONO bending angle cannot satisfactorily reproduce these experimental findings. The rotational state distributions are highly inverted with maxima around j∼30–35 depending slightly on the initial state (n*) and the final state (n) of NO. The overall agreement with the measured distributions is satisfactory. The results of this study emphasize the importance of the bending degree of freedom in the dissociation of CH3 ONO and by revealing the interplay of the three active vibrational modes they provide a detailed picture of the predissociation mechanism in a polyatomic molecule.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.457663
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