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  • 1
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 82 (1985), S. 2305-2312 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Bethe surface as a means of characterizing the inelastic scattering of photons and electrons on atomic targets is discussed, and framed within the two-potential Furry's picture of scattering theory. In particular, the cross section for inelastic photon scattering is considered, and its first distorted Born approximation is identified to be given in terms of Bethe surface along the path conserving energy and momentum transfer. The difficulties in obtaining accurate cross sections in situations where the energy transfer is close to the ionization threshold are indicated, and related to the so-called Compton defect. The method for calculating the inelastic photon scattering cross section, introduced in Part I of this work [J. Chem. Phys. 80, 5669 (1984)] is summarized. The scattering cross section, and the entire Bethe surface, is obtained by means of the L2 discretization of the continuum and implemented in terms of the complex-coordinate method, without explicit calculation of the final scattering waves. The method is tested for the case of photon scattering off the hydrogen atom. The results are encouraging, and may be relevant for applications of the complex-coordinate method to calculations of more general transition amplitudes. The method is predicted to be most useful in cases close to ionization threshold (e.g., appearance edges in Compton scattering, Compton defect). Although applied to the one-electron problem the procedure is readily applicable to many electron atoms.
    Type of Medium: Electronic Resource
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  • 2
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 85 (1986), S. 1456-1461 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The procedure for calculating the general Kramers–Heisenberg transition amplitude for scattering of light is presented. The procedure is based on L2 atomic structure calculations implemented within the framework of the complex-coordinate method, gives the transition amplitudes without explicit calculation of the final states, and includes the contribution from A¯ 2 terms, p¯A¯ terms to second order, and interference terms between these scattering contributions.
    Type of Medium: Electronic Resource
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  • 3
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 83 (1985), S. 3924-3931 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The self-consistent field (SCF) method beyond its computational advantage lends meaning to the concept of local modes and its applicability implies mode specificity in the unimolecular reaction being studied. The natural expansion (NE) analysis of stable or metastable vibrational states is presented here first. The NE analysis enables us to determine the applicability of the SCF approximation, the optimal molecular modes for any given vibrational energy and therefore provides a positive test for mode specificity. Moreover, it is shown here that even when the internal coordinates of the Hamiltonian are not optimized and there are several dominant configurations in the NE, mode specificity can be indicated by analyzing these configurations. As examples, the mode specificity in the unimolecular decomposition of CO2 to CO+O and in the dissociation of formaldehyde to H2+CO are studied by the NE analysis.
    Type of Medium: Electronic Resource
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  • 4
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 84 (1986), S. 3931-3936 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Explicit consideration of the analytic properties of the solutions to the dilated Hamiltonian is taken into account in the construction of the matrix representation of the latter in an L2 basis. The total dilated matrix is blocked according to division of the basis into "bound'' and "scattering'' subspaces, which are interacting via the off-diagonal blocks, leading to a coupling maintaining the adequacy of the bound part of the basis throughout the wide range of the dilation angle. The size of the bound subspace, M, becomes a new stabilization parameter; its variation covers the entire range of situations between a real stabilization calculation and the conventional complex-scaling calculation. This construction allows for a systematic analysis of the dilated Hamiltonian, bringing forward the physical interpretation of the configuration interaction while suppressing the disadvantageous effects of the dilation transformation, manifested by poor convergence. The connections to Junker's complex stabilization method are discussed.
    Type of Medium: Electronic Resource
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  • 5
    Electronic Resource
    Electronic Resource
    Springer
    Hyperfine interactions 118 (1999), S. 223-228 
    ISSN: 1572-9540
    Keywords: muonic helium hydride ; muon reactivation
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract Several previously unknown resonances of the μtμ helium hydride ion have been identified using a variational procedure. It is suggested that these resonances may form in αμ(1s)-TD(T2) scattering, for centre of mass collision energies in the range 8–10 keV. If the molecular complex [(αtμ)*dee]* is formed in a dissociative state (with respect to the α tμ-d coordinate), the dissociation energy may in part be transferred to the muonic degrees of freedom, opening the exit channel [(αtμ)*dee]* → tμ + α e + T, effectively amounting to muon transfer from α to t. We present a theoretical formulation of this novel and hypothetical mechanism for muon reactivation together with a numerical calculation of its cross-section for a special case.
    Type of Medium: Electronic Resource
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  • 6
    Electronic Resource
    Electronic Resource
    Springer
    Hyperfine interactions 119 (1999), S. 165-171 
    ISSN: 1572-9540
    Keywords: excited state muon transfer ; metastable muonic molecule
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract The impact of excited state muon transfer in dµ + H2 collisions has been investigated. The formation of metastable pdμ* molecules and their subsequent decay into the pμ (1s) + d channel opens a transfer channel that is otherwise closed at the n=2 level. This mechanism enlarges the fraction of muons arriving to the ground state of the lighter isotope. The resulting ground state population P 1s pμ as function of deuterium concentration appears to be in qualitative agreement with recent measurements of the K α X-ray yield in H2/D2 mixtures.
    Type of Medium: Electronic Resource
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  • 7
    Electronic Resource
    Electronic Resource
    Springer
    Hyperfine interactions 82 (1993), S. xi 
    ISSN: 1572-9540
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Type of Medium: Electronic Resource
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  • 8
    Electronic Resource
    Electronic Resource
    Springer
    Hyperfine interactions 82 (1993), S. xv 
    ISSN: 1572-9540
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Type of Medium: Electronic Resource
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  • 9
    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
    Type of Medium: Electronic Resource
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  • 10
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 23 (1983), S. 91-98 
    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 self-consistent field (SCF) equations for many-electron systems, suitable within the complex-coordinate method, are derived. The formulation is based on a general bivariational theorem for non-Hermitian operators, with an emphasis on the analytic structure invoked by the complex dilation of the total Hamiltonian. The dilation structure of the resulting SCF equations is stressed and the concomitant analytical properties are discussed. The solutions are classified with respect to these properties, and interpreted in terms of a general form of the symmetry dilemma. The role of the dilated SCF equations for resonance calculations is discussed.
    Type of Medium: Electronic Resource
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