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  • Atomic, Molecular and Optical Physics  (8)
  • 31.30.Gs  (2)
  • Key words piezothermoelasticity  (2)
  • Wiley-Blackwell  (8)
  • Springer  (4)
  • Hindawi
  • Public Library of Science
Collection
Keywords
Publisher
  • Wiley-Blackwell  (8)
  • Springer  (4)
  • Hindawi
  • Public Library of Science
Years
  • 1
    Electronic Resource
    Electronic Resource
    Three-dimensional solution for a hybrid cylindrical shell under axisymmetric thermoelectric load (1997)
    Springer
    Archive of applied mechanics 67 (1997), S. 320-330 
    Details
    ISSN: 1432-0681
    Keywords: Key words piezothermoelasticity ; cylindrical shell ; exact solution ; laminate ; axisymmetry ; cross-ply.
    Source: Springer Online Journal Archives 1860-2000
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics
    Notes: Summary An exact axisymmetric piezothermoelastic solution is presented for a simply-supported hybrid cylindrical shell made of cross-ply composite laminate and piezoelectric layers. Numerical results for hybrid shells are presented for sinusoidal and central band thermal and electrical loads. The effect of the loading, the radius-to-thickness ratio, the span-to-radius ratio and the number of layers of the substrate on the response is investigated. The interface between the substrate and the actuated piezoelectric layer has been found to be subjected to high shear stress. It has been shown that the maximum values of the deflection and the stresses, due to thermal load, can be appreciably reduced by appropriate application of actuation potential.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/s004190050120
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  • 2
    Electronic Resource
    Electronic Resource
    An exact axisymmetric solution for a simply supported piezoelectric cylindrical shell (1997)
    Springer
    Archive of applied mechanics 67 (1997), S. 260-273 
    Details
    ISSN: 1432-0681
    Keywords: Key words piezothermoelasticity ; cylindrical shell ; piezoelectric ; axisymmetry.
    Source: Springer Online Journal Archives 1860-2000
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics
    Notes: Summary Three-dimensional axisymmetric solution is presented for a simply supported piezoelectric cylindrical shell. The variables are expanded in Fourier series to satisfy the boundary conditions at the ends. The solution of the governing differential equations with variable coefficients is constructed as a product of an exponential function and a power series. The coefficients of terms of all degrees in the governing equations are set to zero, yielding a characteristic equation for the exponent and recursive relations for the coefficients of the power series. Results are presented illustrating the effect of thickness parameter of the shell. An inverse problem of inferring the applied temperature from the measured potential difference has been solved.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/s004190050116
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  • 3
    Electronic Resource
    Electronic Resource
    Field shift and generalised moments of nuclear charge distribution (1986)
    Springer
    The European physical journal 325 (1986), S. 115-118 
    Details
    ISSN: 1434-601X
    Keywords: 31.30.Gs
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract It is shown that the use of realistic charge distribution leads to odd moment dependence of the nuclear field isotope shift. Our expression for field isotope shift reduces to the familiar result of Seltzer for low and moderateZ, Z denoting atomic number.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01294250
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  • 4
    Electronic Resource
    Electronic Resource
    Field shift and generalised moments of nuclear charge distribution (1985)
    Springer
    The European physical journal 322 (1985), S. 617-620 
    Details
    ISSN: 1434-601X
    Keywords: 31.30.Gs
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract It is shown that the use of realistic charge distribution leads to odd moment dependence of the nuclear field isotope shift. Our expression for field isotope shift reduces to the familiar result of Seltzer for low and moderateZ, Z denoting atomic number.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01415142
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  • 5
    Electronic Resource
    Electronic Resource
    A study of dynamic quadrupolar and octupolar excitations and calculations on excited d and f states of atom and ions: He-sequence (1970)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 4 (1970), S. 465-486 
    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 quadrupolar and octupolar distortion of the ions in the He-sequence caused by an external electro-magnetic field has been studied by a variation-perturbation method in the Hartree-Fock scheme. For certain frequencies singularities appear in the response of the system to the perturbation. Approximate representations for the excited d and f states have been obtained from a study of these resonances. Such a perturbation calculation has the advantage that representations of the different excited states are obtained independently. The orthogonality to all the lower lying levels of the same symmetry is not required. The only source of inaccuracy implicit in the procedure lies in the improper consideration of the inter-electronic interaction. This is corrected for by an independent calculation, which is again formulated in terms of a perturbation treatment. The resulting wave functions for the excited states are accurate in the Hartree-Fock model. Expectation values of several operators have been calculated with these corrected wave functions.
    Additional Material: 1 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560040503
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  • 6
    Electronic Resource
    Electronic Resource
    Coupled Hartree-Fock calculation of the electric dipole hyper-polarizabilities: He sequence (1972)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 6 (1972), S. 337-345 
    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 variation perturbation method in the coupled Hartree-Fock (HF) scheme has been used to calculate the fourth-order energies of He, Li+ and Be2+ ions subjected to a uniform external electric field. The hyper-polarizabilities γh which are related to the fourthorder energies have been calculated neglecting intra-atomic correlation. For He the observed value is γh = 53.6 ± 4.0 a.u. The present estimate in the coupled and uncoupled HF schemes yield 36.2 and 45.3 a.u. respectively. The other calculations using correlated ground state wave function gave values in the range 42-44 a.u. The discrepancies between our result and those of others have been discussed.
    Additional Material: 2 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560060212
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  • 7
    Electronic Resource
    Electronic Resource
    Use of coupled-cluster based linear response theory and multireference hermitian MBPT to IP calculations of HF (1986)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 29 (1986), S. 205-210 
    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 report in this paper the results of outer and inner valence IP calculations for the HF molecule using two different many-body methods for the direct evaluation of energy differences. The first is the nonperturbative coupled-cluster based linear response theory (LRT) and the second is the hermitian open-shell many-body perturbation theory (MBPT). A Huzinaga-Dunning (9s5p→ 5s3p/3s) basis has been used. LRT uses an “ionization operator” S as in the equation of motion method (EOM) to generate the ionized states from a coupled-cluster type of ground state. S is chosen to consist of single ionization and ionization-cum-shake-up operators, thus treating the Koopmans as well as the shake-up states on equal footing. LRT would thus be capable of computing both the outer and the inner valence regions with equal facility. This is borne out by the results. For the open-shell MBPT, the model space is chosen to be spanned by the singly ionized determinants. The convergence of the results for the inner valence region is slow, and the results obtained from the [2, 1] Pade' approximants are presented. Unlike the LRT, the inner valence region is not reproduced with full complexity in MBPT, indicating that it is essential to modify the theory by way of expanding the model space to contain the shake-up determinants also.
    Additional Material: 1 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560290210
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  • 8
    Electronic Resource
    Electronic Resource
    Self-consistent calculation of 1s2s3S state of helium and heliumlike ions (1981)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 19 (1981), S. 283-291 
    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: In this paper we present a simple method within the coupled Hartree-Fock framework to calculate the 1s2s 3S state of helium and heliumlike ions. The results are in very good agreement with those obtained by the use of multiterm correlated wave functions. Some interesting observations associated with the wave function are presented.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560190209
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  • 9
    Electronic Resource
    Electronic Resource
    Self-consistent calculation of 1s2s1S state wave function of helium (1980)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 18 (1980), S. 995-1003 
    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 simple self consistent variation perturbation method in the coupled Hartree-Fock scheme has been proposed to calculate 1s2s 1S state of the He atom. The present paper deals with an 1s2s 1S wave function in which all the relevant orthogonality conditions are imposed in successive stages. The resulting wave functions together with some interesting features are discussed.
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560180407
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  • 10
    Electronic Resource
    Electronic Resource
    Interaction of tylophorinidine with lysozyme (1981)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 20 (1981), S. 523-531 
    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 interaction of tylophorinidine (TPD) with lysozyme - a model protein - with biological activity, was investigated by determining its fluorescence and by assessing its activity under various conditions. The results indicated that TPD associated with lysozyme at pH 9.2 efficiently with an association constant Ka of 3.3 X 104 M-1 at 26°C. Ka increased with the increasing temperature in the range 26 to 55°C; the calculated enthalpy change ΔH was found to be 2.3 kcal/mol. Under the same conditions as above TPD also associated with the free amino acid tryptophan with a Ka of 1.7 X 104 M-1 indicating half the efficiency of its association with protein lysozyme. TPD associated lysozyme was less active than the uncomplexed enzyme in the above temperature range although beyond 45°C the inhibition was more significant. The results imply that TPD binds lysozyme outside the cleft region in the temperature range studied here. However, with increasing temperature the cleft region is gradually widened and/or the whole molecule is expanded such that the accommodation of whole or part of the TPD molecule is facilitated leading to the blockage of lytic activity.
    Additional Material: 7 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560200224
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