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  • 1
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    Studies in classical history and society (2002)
    Oxford [England] ; New York : Oxford University Press
    American classical studies  
    Details
    Keywords: Greece, History, To 146 B.C. ; Grèce, Histoire, Jusqu'à 146 av. J.-C. ; Rome, Histoire. ; Rome, History. ; Civilisation ancienne. ; Civilization, Classical.
    Pages: xi, 151 p.
    ISBN: 0-19-518490-4
    URL: http://www.netLibrary.com/urlapi.asp?action=summary&v=1&bookid=121005
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  • 2
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    Social movements : identity, culture, and the state (2002)
    Oxford ; New York : Oxford University Press
    Details
    Keywords: Mouvements sociaux. ; Social movements.
    Notes: pt. I. Introduction. Opportunities and identities: bridge-building in the study of social movements / David S. Meyer -- pt. II. States and policies. State repression and democracy protest in three southeast Asian countries / Vincent Boudreau -- Mobilization on the South African gold mines / T. Dunbar Moodie -- Multiple meditations: the state and the women's movements in India / Manisha Desai -- The contradictions of gay ethnicity: forging identity in Vermont / Mary Bernstein -- Creating social change: lessons from the civil rights movement / Kenneth T. Andrews -- pt. III. Organization and strategies. The "meso" in social movement research / Suzanne Staggenborg -- Strategizing and the sense of context: reflections on the first two weeks of the Liverpool docks lockout, September-October 1995 / Colin Barker and Michael Lavalette -- Factions and the continuity of political challengers / Mildred A. Schwartz -- More than one feminism: organizational structure and the construction of collective identity / Jo Reger -- The development of individual identity and consciousness among movements of the left and right / Rebecca E. Klatch -- pt. IV. Collective identities, discourse, and culture. Toward a more dialogic analysis of social movement culture / Marc W. Steinberg -- Materialist feminist discourse analysis and social movement research: mapping the changing context for "community control" / Nancy A. Naples -- From the "beloved community" to "family values": religious language, symbolic repertoires, and democratic culture / Rhys H. Williams -- External political change, collective identities, and participation in social movement organizations / Belinda Robnett -- pt. V. Conclusion. Meaning and structure in social movements / Nancy Whittier
    Pages: xvi, 366 p.
    ISBN: 0-19-530277-X
    URL: http://www.netLibrary.com/urlapi.asp?action=summary&v=1&bookid=129231
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  • 3
    Electronic Resource
    Electronic Resource
    The hyperfine structure in the electronic A 2E″←X 2E′ system of the pseudorotating lithium trimer (2001)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 115 (2001), S. 2590-2602 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Sub-Doppler laser spectroscopy of the A 2E″←X 2E′ band of Li3 shows well-resolved and characteristic hyperfine structures of rovibronic transitions which can be explained in all detail by the interplay between the underlying Fermi-contact interaction, the symmetry species of the rovibronic states and the Coriolis coupling of rotational and pseudorotational motions. Ab initio calculated electron spin densities reproduce the observed line splittings to within 3%. In this Jahn–Teller distorted molecule magnetic equivalence of identical nuclei is strictly valid only for rovibronic states of A symmetry. However, it also holds for rovibronic states of E symmetry if they are of pure A vibronic origin, and it is enforced for many E states of pure E vibronic origin by Coriolis coupling. In contrast, those transitions which involve states with dominant Kc=0 rotation functions and/or with strong vibronic E/A mixing show significant changes in the hyperfine patterns due to magnetic inequivalence, sometimes called "hyperfine doubling." © 2001 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.1376631
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  • 4
    Electronic Resource
    Electronic Resource
    Efficiently computing bound-state spectra: A hybrid approach of the multi-configuration time-dependent Hartree and filter-diagonalization methods (2001)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 114 (2001), S. 2036-2046 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: We present a new approach for determining bound-state spectra of molecules or clusters. In our approach a wave packet propagation is performed, which exploits the efficiency of the multi-configuration time-dependent Hartree scheme, to produce an autocorrelation function. From this, an accurate spectrum is extracted employing the filter-diagonalization procedure. The accuracy of this hybrid method is demonstrated by applying it to the spectrum of carbon dioxide. Compared with the filter-diagonalization scheme based on a numerically exact wave packet propagation and with a matrix diagonalization using the Lanczos algorithm, our approach turns out to be more efficient. The method can easily be generalized to the treatment of resonant states. © 2001 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.1334618
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  • 5
    Electronic Resource
    Electronic Resource
    Multistate vibronic interactions in the benzene radical cation. II. Quantum dynamical simulations (2002)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 117 (2002), S. 2657-2671 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The multistate vibronic dynamics in the X˜ 2E1g-E˜ 2B2u electronic states of the benzene radical cation is investigated theoretically by an ab initio quantum-dynamical approach. The vibronic coupling scheme and the ab initio values of the system parameters are adopted from the previous Paper I. Vibronic line spectra are obtained with the Lanczos procedure. Extensive calculations on wave-packet propagation have been performed with the aid of the multiconfiguration time-dependent Hartree method. Up to five coupled electronic potential energy surfaces and 13 vibrational degrees of freedom have been included in these calculations. As a result, the impact of a third electronic state (X˜ or B˜) on a strongly coupled manifold (B˜-C˜ or D˜-E˜ states) is quantitatively assessed. It leads to a restructuring of the spectral envelope which is stronger for the B˜-D˜-E˜ than for the X˜-B˜-C˜ system. The internal conversion dynamics is characterized by a stepwise transfer of electronic population to the lowest electronic state on a time scale of ∼100 fs, if the system is prepared initially on the highest potential energy surface. Companion calculations have also been performed for the case when the system is prepared in the intermediate state at t=0; they show a branching of the electronic populations. These are all novel findings which are discussed in terms of a series of conical intersections between the various potential energy surfaces. The importance of such multistate vibronic interactions for the photophysics and photochemistry of medium-sized systems is pointed out. © 2002 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.1491398
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  • 6
    Electronic Resource
    Electronic Resource
    Adiabatic nucleation in the liquid–vapor phase transition (2001)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 114 (2001), S. 8505-8510 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The fundamental difference between classical (isothermal) nucleation theory (CNT) and adiabatic nucleation theory (ANT) is discussed. CNT uses the concept of isothermal heterophase fluctuations, while ANT depends on common fluctuations of the thermodynamic variables. Applications to the nonequilibrium liquid to vapor transition are shown. However, we cannot yet calculate nucleation frequencies. At present, we can only indicate at what temperatures and pressures copious homogeneous nucleation is expected in the liquid to vapor phase transition. It is also explained why a similar general indication cannot be made for the inverse vapor to liquid transition. Simultaneously, the validity of Peng–Robinson's equation of state [D.-Y. Peng and D. B. Robinson, Ind. Eng. Chem. Fundam. 15, 59 (1976)] is confirmed for highly supersaturated liquids. © 2001 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.1367286
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  • 7
    Electronic Resource
    Electronic Resource
    Theoretical investigation of the autoionization process in molecular collision complexes: He*(2 3S)+Li(2 2S)→He+Li++e− (2000)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 113 (2000), S. 1484-1491 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: A complete ab initio treatment is applied to the autoionization process in the He*(2s 3S)+Li(2s 2S) collisional complex. Feshbach projection based on orbital occupancy, implemented in a multireference configuration interaction (MRCI) code, defines the resonance state and provides the entrance channel potential curve as well as all pertinent information on the resonance–continuum coupling. The l-dependent coupling elements in local approximation are obtained by projecting a compact one-electron function, named Penning molecular orbital (PMO), onto the wave function of the ejected electron with proper energy. The continuum wave function is obtained by coupled channel calculations in the static-exchange approximation. A converged set of seven complex coupling matrix elements, used in the nuclear dynamics calculation based on a complex Numerov algorithm, fully describes the electron angular momentum transfer. The calculated angle-dependent spectra, as well as the total, angle-, and energy-integrated ionization cross sections agree well with available experimental data. © 2000 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.481935
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  • 8
    Electronic Resource
    Electronic Resource
    Coarse graining of nonbonded inter-particle potentials using automatic simplex optimization to fit structural properties (2000)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 113 (2000), S. 6264-6275 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: We implemented a coarse-graining procedure to construct mesoscopic models of complex molecules. The final aim is to obtain better results on properties depending on slow modes of the molecules. Therefore the number of particles considered in molecular dynamics simulations is reduced while conserving as many properties of the original substance as possible. We address the problem of finding nonbonded interaction parameters which reproduce structural properties from experiment or atomistic simulations. The approach consists of optimizing automatically nonbonded parameters using the simplex algorithm to fit structural properties like the radial distribution function as target functions. Moreover, any mix of structural and thermodynamic properties can be included in the target function. Different spherically symmetric inter-particle potentials are discussed. Besides demonstrating the method for Lennard-Jones liquids, it is applied to several more complex molecular liquids such as diphenyl carbonate, tetrahydrofurane, and monomers of poly(isoprene). © 2000 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.1308542
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  • 9
    Electronic Resource
    Electronic Resource
    A numerical study on the performance of the multiconfiguration time-dependent Hartree method for density operators (2000)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 112 (2000), S. 10718-10729 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: A numerical study based on the multiconfiguration time-dependent Hartree (MCTDH) method for the propagation of density operators is presented. Within the MCTDH framework, there exist two types of expansions of the density operator which employ different kinds of so-called single-particle density operators. The latter may either represent Hermitian operators (type I), or else ket-bra products of so-called single-particle functions (type II). The performance of these two types of representations is tested on three models for closed and open system dynamics. The open dynamics is induced for each system by Lindblad-type dissipation operators. We find that the MCTDH representation of type I is most efficient if the coupling between the degrees of freedom is weak, but if the temperature of the initial state and/or the strength of the dissipation is moderate. On the other hand, for strong coupling between the degrees of freedom, but for lower temperatures and for weak dissipation type II is more efficient. Furthermore, considering the open dynamics of the systems both types of MCTDH density operators can be very efficiently used to calculate absorption spectra. The Lindblad-type dissipation operator is shown, however, to capture only partially the effects of a real environment. © 2000 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.481716
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  • 10
    Electronic Resource
    Electronic Resource
    All mode dynamics at the conical intersection of an octa-atomic molecule: Multi-configuration time-dependent Hartree (MCTDH) investigation on the butatriene cation (2001)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 115 (2001), S. 2088-2100 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The ground state and the first excited electronic states of the octa-atomic butatriene cation (C4H4+) exhibit a multidimensional conical intersection. This intersection is energetically low lying and is located in the vicinity of the Franck–Condon region of the neutral molecule's ground state. The conical intersection thus dominates the nuclear dynamics in ionization processes of this molecule. This is a particularly interesting example of vibronic coupling, introducing what appears to be a new, structured band into the energy spectrum. In this work, the potential energy surfaces and their intersection are investigated by ab initio methods. A diabatic model Hamiltonian including all possible linear, quadratic and bilinear vibronic coupling terms is introduced, with coupling constants determined by a fit to the ab initio data. The nuclear dynamics of all 18 vibrational modes is then evaluated by propagating the wave packet using the multi-configuration time-dependent Hartree method. Finally, the photoelectron spectrum of butatriene is computed and compared with the experimental one. © 2001 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.1384872
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