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  • 1
    Electronic Resource
    Electronic Resource
    On the polynomial solutions of ordinary differential equations of the fourth order (1985)
    College Park, Md. : American Institute of Physics (AIP)
    Journal of Mathematical Physics 26 (1985), S. 1547-1552 
    Details
    ISSN: 1089-7658
    Source: AIP Digital Archive
    Topics: Mathematics , Physics
    Notes: The density of zeros of polynomial solutions of ordinary differential equations of the fourth order with coefficients depending only on the independent variable is analyzed. The first four moments of such a density are given directly in terms of the coefficients which characterize the differential operator. Application to the nonclassical orthogonal polynomials corresponding to the names Krall–Legendre, Krall–Laguerre, and Krall–Jacobi is done. Global asymptotic properties of the zeros of these polynomials are also obtained.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.526915
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  • 2
    Electronic Resource
    Electronic Resource
    Momentum space densities for the beryllium isoelectronic series (2000)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 113 (2000), S. 8631-8636 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: One- and two-body densities in momentum space have been calculated for the atomic beryllium isoelectronic series starting from explicitly correlated multideterminant wave functions. The effects of electronic correlations have been systematically studied by comparing the correlated results with the corresponding Hartree–Fock ones. Some expectation values such as 〈δ(p(vector))〉, 〈pn〉, 〈δ(p(vector)12)〉, 〈p12n〉, 〈δ(P(vector))〉, and 〈Pn〉, where p(vector), p(vector)12, and P(vector) stand for the electron–nucleus, interelectronic, and two-electron center-of-mass momentum coordinates, respectively, and the angular correlation coefficient have been obtained. All the calculations have been carried out by using the Monte Carlo algorithm. © 2000 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.1316036
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  • 3
    Electronic Resource
    Electronic Resource
    One- and two-body densities for the beryllium isoelectronic series (1999)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 111 (1999), S. 10903-10909 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: One- and two-body densities in position space have been calculated for the atomic beryllium isoelectronic series starting from explicitly correlated multideterminant wave functions. The effects of electronic correlations have been systematically studied by comparing the correlated results with the corresponding Hartree–Fock ones. Some expectation values such as 〈δ(r)〉, 〈rn〉, 〈δ(r12)〉, 〈r12n〉, 〈δ(R)〉, and 〈Rn〉, where r, r12, and R stand for the electron–nucleus, interelectronic, and two electron center of mass coordinates, respectively, have been obtained. All the calculations have been carried out by using the Monte Carlo algorithm. © 1999 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.480485
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  • 4
    Electronic Resource
    Electronic Resource
    Correlated electron extracule densities in position and momentum spaces (1999)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 111 (1999), S. 3319-3326 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Spherically averaged extracule densities in position, d(R), and momentum, d¯(P), spaces have been calculated for the atoms helium to neon starting from explicitly correlated wave functions. Correlated values for the electron–electron counterbalance density in position, d(0), and in momentum, d¯(0), spaces, and also for the expectation values 〈Rn〉 and 〈Pn〉 are reported. A systematic study of the electronic correlation has been performed by comparing the correlated results with the corresponding Hartree–Fock ones. © 1999 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.479665
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  • 5
    Electronic Resource
    Electronic Resource
    A variational Monte Carlo study of the 2s-2p near degeneracy in beryllium, boron, and carbon atoms (1998)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 109 (1998), S. 3346-3351 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: We apply the variational Monte Carlo method to study the beryllium, boron, and carbon atoms. An explicitly correlated wave function is used in order to include the dynamic correlation among the electrons. The nondynamic correlation due to the 2s-2p near degeneracy effect present in these atoms is taken into account by using a multideterminant wave function. © 1998 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.476929
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  • 6
    Electronic Resource
    Electronic Resource
    Correlated two-electron momentum properties for helium to neon atoms (1999)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 110 (1999), S. 5721-5727 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Two-electron properties in momentum space for the atoms helium to neon have been calculated starting from explicitly correlated wave functions. The different integrals involved in the calculation have been evaluated by using the Monte Carlo algorithm. In particular, the spherically averaged interelectronic momentum distribution, γ(2)(p12),its radial moments 〈p12n〉, with n=−2 to +3, the expectation value 〈p1⋅p2〉, and both the electron–electron coalescence, γ(2)(0), and counterbalance, Γ(2)(0), densities have been calculated. A systematic study of the electronic correlation has been performed by comparing the correlated results with the corresponding Hartree–Fock ones. Finally an analysis of the structure of the interelectronic momentum distribution in terms of its parallel and antiparallel components has been carried out. © 1999 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.478470
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  • 7
    Electronic Resource
    Electronic Resource
    Correlated Monte Carlo electron-pair density for the atoms helium to neon (1998)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 109 (1998), S. 7075-7084 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The Monte Carlo method to obtain the electron-pair density for the atoms helium to neon has been applied. The wave functions of Schmidt and Moskowitz [J. Chem. Phys. 93, 4172 (1990)] to take into account the dynamic correlation among the electrons have been used. For the atoms Be, B and C we have considered the nondynamic correlation due to the near degeneracy 2s−2p by means of a configuration interaction wave function and for Li and Be we have also varied the central part of the wave function. A study of the differences between the correlated and the Hartree–Fock results has been carried out. Finally we have also calculated the interelectronic moments, 〈r12n〉, and the value of the electron pair density at the coalescence point for all the atoms considered. © 1998 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.477390
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  • 8
    Electronic Resource
    Electronic Resource
    Atomic properties from energy-optimized wave functions (2001)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 115 (2001), S. 1166-1171 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Most of the variational Monte Carlo applications on quantum chemistry problems rely on variance-optimized wave functions. Recently, M. Snajdr and S. M. Rothstein, [J. Chem. Phys. 112, 4935 (2000)] have concluded that energy optimization allows one to obtain wave functions that provide better values for a wide variety of ground state properties. In this work we study the quality of energy-optimized wave functions obtained by using the methodology of Lin, Zhang, and Rappe [J. Chem. Phys. 112, 2650 (2000)], as compared with variance-optimized ones for He to Ne atoms. In order to assess this problem we calculate the energy and some other selected properties. The accuracy and performance of the energy-optimization method is studied. A comparison of properties calculated with energy-optimized wave functions to those existing in the literature and obtained by means of variance-optimized wave functions shows a better performance of the former. © 2001 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.1381408
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  • 9
    Electronic Resource
    Electronic Resource
    On the zeros of eigenfunctions of polynomial differential operators (1985)
    College Park, Md. : American Institute of Physics (AIP)
    Journal of Mathematical Physics 26 (1985), S. 2729-2736 
    Details
    ISSN: 1089-7658
    Source: AIP Digital Archive
    Topics: Mathematics , Physics
    Notes: It is shown that for polynomial eigenfunctions of an ordinary polynomial differential operator with coefficients depending only on the independent variable it is possible to determine the density of nodes around the mean without solving the corresponding eigenvalue problem. This is done by means of the first few moments, which can be directly expressed in terms of the above-mentioned coefficients. Also, very simple expressions for the asymptotic values (i.e., when the degree of the polynomial becomes very large) of these quantities are found. For illustration, these results are applied to various orthogonal polynomials, which satisfy ordinary differential equations of second, fourth, and/or sixth order.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.526743
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  • 10
    Electronic Resource
    Electronic Resource
    CD23 expression on B-lymphocytes and its modulation by cytokines in allergic patients (1993)
    Oxford, UK : Blackwell Publishing Ltd
    Clinical & experimental allergy 23 (1993), S. 0 
    Details
    ISSN: 1365-2222
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Medicine
    Notes: The aim of this study was to assess the expression of CD23 on peripheral blood B-cells. and its in vitro modulation by recombinant human interferon-γ (IFN-γ) in phytohaem-agglutinin- (PHA) or recombinant human interleukin-4 (IL-4)-stimulaled cultures in atopic patients with Dermatophagoides pteromyssinus hyprrsensitivity and in healthy non-atopic subjects. Atopic patients with asthma not receiving allergen-specific immunotherapy (n= 21) were studied and further compared with a group of atopic subjects with asthma under allergen-specific immunotherapy (n = 21). They were age-(± 5 yr) and sex-matched. The results were also compared with those obtained in the non-atopic group (n= 11).CD23 expression on B-lymphocytes and its modulation were analysed by flow cytometry using conjugated monoclonal antibodies with a double immunofluorescence method. Atopic patients had an increase in the percentage of B-cells expressing CD23 in peripheral blood. Phytohaemagglutinin and IL-4 induced a rise in the percentage of CD23-positive B-cells in both atopic groups and non-atopic subjects. Phytohaemagglutinin provoked an increase in the intensity of CD23 expression on B-cells from stimulated cultures in all groups, while IL-4 only produced a significant increase in atopic patients. The presence of IFN-γ decreased the CD23 expression on B-cells in PH A-stimulated culture of atopic patients, whereas it caused an increase in CD23 expression in the non-atopic group. Furthermore, the presence of IFN-γ in IL-4-stimulatcd cultures induced a decrease in CD23 expression on B-cells in all cases. These results indicate a difference between atopic and non-alopic donors in their responses to IL-4 and IFN-γ. On the other hand, allergen-specific immunotherapy did not induce any shift in the expression and modulation of this receptor.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1111/j.1365-2222.1993.tb00902.x
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