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  • 11
    Electronic Resource
    Electronic Resource
    A unified view of particles and fields in a simple model of a physical system (1978)
    Springer
    International journal of theoretical physics 17 (1978), S. 163-188 
    Details
    ISSN: 1572-9575
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract We start from the primitive concepts of preparticle and membership relation ε of set theory to obtain the derivative concepts of particle (already introduced in a previous work), field, and the interaction between systems of particles. We have explicitly stated, in addition, what the relationship between a system of particles and the field it produces is in the present model of physical systems. In order to discuss the motion of particles we have analyzed one of the possible definitions of a reference frame.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00680370
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  • 12
    Electronic Resource
    Electronic Resource
    Space-time in a simple model of a physical system (1979)
    Springer
    International journal of theoretical physics 18 (1979), S. 725-775 
    Details
    ISSN: 1572-9575
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract A model of space-time is worked out starting from the two primitive concepts of preparticle and of membership relation of set theory. We obtain as derivative concepts those of space-time and inertial reference frame, also those of energy, frequency, momentum, and wavelength of a physical system in a given reference frame. Proportionality relations between energy and frequency, and between momentum and (wavelength)−1 are shown to be satisfied in our model. The same constant of proportionality intervenes in these two relations, and we interpret it as the Planck constant expressed in a particular system of units. Energy and momentum are conserved in the usual sense, provided we consider sufficiently large regions of the space-time diagram associated to the reference frame under consideration. Lorentz transformations and Heisenberg's inequalities are discussed within the framework of our model.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00671771
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  • 13
    Electronic Resource
    Electronic Resource
    Le Couplage Vibronique dans une Chaine Linéaire de Molecules Etudié par une Méthode Auto-Cohérente (1970)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 4 (1970), S. 397-411 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: We describe the correlation diagram of a linear crystal, in the traditional framework of the vibronic coupling. All lattice normal modes, except the symmetrical mode, are coupled to the excitation transfer. We therefore propose an iterative method, where every mode “sees” an effective coupling arising from the interaction of the other modes with the electronic excitation. This method is applied to a simple case (the pentamer) and the results are compared with the exact solution. In the weak coupling case this procedure gives the vibronic band structure and in the strong coupling case, the electronic band accompanied by vibrational excitations. These results show that the method employed represents an interpolation approach.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560040406
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  • 14
    Electronic Resource
    Electronic Resource
    Multichannel resonance quantization with an optical potential (1986)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 30 (1986), S. 541-546 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The introduction of an appropriately chosen imaginary potential in the physical asymptotic region may transform a resonance wave function into an integrable function. We examine the conditions under which this procedure and the method of exterior complex scaling become equivalent. The procedure is tested in multichannel situations describing rotational predissociation of a van der Waals complex and Stark ionization of the hydrogen atom.
    Additional Material: 2 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560300747
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  • 15
    Electronic Resource
    Electronic Resource
    The energy of a molecule as a sum of terms related to its nuclei when the nuclear motion is quantum mechanically described* (1989)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 35 (1989), S. 433-439 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: We show that even when the nuclear motion is quantum mechanically described, the energy of a molecular state can be exactly expressed as a sum of terms, each one related to a nuclei of the molecule. This is a generalization of a similar result obtained by Politzer and Parr for the case in which the nuclei are in fixed positions. In fact, the nuclear motion is exactly taken into account through a modified screening function derivative evaluated on each nucleus of the molecule. We discuss how the screening function derivatives corresponding to the fixed nuclei case relate to those which take into account the nuclear motion. A simple relation between these two arises in the so-called crude Börn-Oppenheimer approximation.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560350308
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  • 16
    Electronic Resource
    Electronic Resource
    Complex perturbation and deperturbation procedures applied to photofragmentation cross-section calculations (1987)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 32 (1987), S. 377-387 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: We describe a procedure to calculate resonance energies that is based on the addition of a complex perturbation to a one-channel or multichannel description of a quantum system. The perturbation has the effect of modifying the boundary conditions so that the perturbed problem leads to the search of the eigenvalues of a bound system. The energies cannot be exploited directly. A point Padé procedure is subsequently applied to remove the perturbation. Tests are made on a well-known one-channel example. Another application is made to two simple photofragmentation processes: photoionization of the ground state hydrogen atom and photodissociation of the HBr molecule. The complex perturbation in this instance is the change of the photon frequency into a complex quantity.
    Additional Material: 6 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560320738
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  • 17
    Electronic Resource
    Electronic Resource
    Complex scaling for subsets of coordinates and associated virial-type relations (1992)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 43 (1992), S. 209-214 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: We generalize the usual complex virial theorem using a procedure of complex scaling for only some of the coordinates of the system. This result can also be considered as an extension of the virial theorem obtained in a previous work using real scaling for a subset of coordinates.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560430204
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  • 18
    Electronic Resource
    Electronic Resource
    Application of box quantization to the determination of the dissociation rates of a system of two coupled morse oscillators (1989)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 36 (1989), S. 647-657 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A well-known model of two coupled Morse oscillators is studied within the context of box quantization. Two variants are considered: analysis of stabilization graphs or addition of an optical potential. These methods are shown to give efficient alternatives for the determination of unimolecular dissociation rates.
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560360509
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  • 19
    Electronic Resource
    Electronic Resource
    Intramolecular coupling effect in the refractive index for a simple three-level model of molecules diluted in water (1993)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 48 (1993), S. 699-711 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: We have calculated the first-, second-, and third-order contribution to the refractive index of a dilute aqueous solution of three-level molecules irradiated by an intense one-frequency external field. Each solute molecule is described by two coupled harmonic curves of electronic energies with the same force constant and with minima displaced in energy and nuclear coordinate. We assume that the intramolecular coupling mixes only the states corresponding to two near degenerate of the three levels considered. Important linear and nonlinear contributions of the solute molecules to the refractive index have been found, mostly in the so-called weak and intermediate coupling regions. © 1993 John Wiley & Sons, Inc.
    Additional Material: 6 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560480862
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  • 20
    Electronic Resource
    Electronic Resource
    Complex regional virial relations in molecules (1992)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 44 (1992), S. 207-211 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: We extend the validity of the virial theorem for complex scaling to the case in which a molecule is partitioned in different regions fulfilling certain prescribed conditions. There is a parallelism between our results for complex scaling and those of the literature for real scaling. Therefore, we extend regional virial relations useful to the treatment of bound states to the case of metastable states. © 1992 John Wiley & Sons, Inc.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560440818
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