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  • 1
    Electronic Resource
    Electronic Resource
    Many-body crystal field calculations. I. Methods of computation and perturbation expansion (1987)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 87 (1987), S. 7096-7109 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The practical implementation of biorthogonal perturbation techniques to calculate one- and two-electron crystal field parameters is described. The systems and basis sets used in the calculations are described in detail, and several crucial aspects of the numerical procedures are discussed. A complete listing of second order perturbation diagrams with associated denominator corrections is given.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.453354
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  • 2
    Electronic Resource
    Electronic Resource
    Many-body crystal field calculations. II. Results for the system Pr3+–Cl− (1987)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 87 (1987), S. 7110-7117 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Contributions to the Slater parameters, crystal field and correlation crystal field parameters for the two-ion system Pr3+–Cl− are calculated using the many-body diagrammatic expansion technique. Both ligand polarization and covalency are shown not to provide significant contributions to the Slater parameters. Ligand polarization is also eliminated as a major contributor to the correlation crystal field, but this mechanism does produce significant crystal field contributions. New, important, contributions to all three sets of parameters are identified and the overall results are related to experimental data.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.453355
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  • 3
    Electronic Resource
    Electronic Resource
    Orbitally correlated crystal field parametrization for lanthanide ions (1987)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 86 (1987), S. 6717-6721 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Analogous to the treatment of the spin-correlated crystal field, a new type of lanthanide correlation crystal field, which depends on the relative orientations of the individual 4f electron orbital angular momenta and the total orbital angular momentum, is postulated. Associated sets of parameters have been obtained for TmCl3⋅6H2O, Er3+:LaCl3, and Pr3+:LaCl3 from the quadratic moments of the J-multiplet energy levels. The results show that this field is noticeable in the Pr3+:LaCl3 spectrum in which the particularly well known deviance of the 1D2 multiplet found in conventional crystal field fitting is largely eliminated.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.452370
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  • 4
    Electronic Resource
    Electronic Resource
    Crystal field invariants and parameters for low-symmetry sites (1985)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 82 (1985), S. 3747-3752 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Relationships between crystal field invariants and superposition model parameters are established. Various strategies are examined for determining and assessing the reliability of crystal field parameters for lanthanide ions in low-symmetry sites. In particular, a new method of estimating crystal field parameters is proposed using crystal field invariants in conjunction with the superposition model. The importance of using a fixed reference frame throughout a series of fitting based on approximate symmetries is stressed and this leads us to identify a new simplified parametrization for lanthanide ions in LaF3 which is not related to an approximate symmetry.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.448911
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  • 5
    Electronic Resource
    Electronic Resource
    A linear model of crystal field correlation effects in Mn2+ (1986)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 84 (1986), S. 3291-3296 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Previous work on correlation effects in 3dn systems has been dominated by the nonlinear Koide and Pryce model which is based on a simplified picture of covalent bonding. Because of the deficiencies of this model, it is of interest to test linear correlation models which are not based on specific mechanisms. In this light, we assess the spin-correlated crystal field model, which has recently shown some success in explaining correlation effects in lanthanide crystal field splittings.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.450260
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  • 6
    Electronic Resource
    Electronic Resource
    High order crystal field invariants and the determination of lanthanide crystal field parameters (1986)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 84 (1986), S. 4470-4473 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The relationship between high order J-multiplet splitting moments and crystal field invariants is investigated. Expressions for corrections due to crystal field intermultiplet coupling are obtained. The formalism is applied to determine the crystal field parameters of lanthanide ions in cubic sites from ground multiplet energies alone, without fitting energy levels.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.450018
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  • 7
    Electronic Resource
    Electronic Resource
    Unique labelling of J states in finite symmetry (1985)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 83 (1985), S. 4691-4696 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Tables are given which provide a method of generating a unique labelling scheme for all finite point group irreducible representations subduced from the representations of D(J) of SO3. A method is also given for determining the explicit basis states corresponding to this unique labelling, and some examples are given for cubic and D2d symmetries. The circumstances in which such basis states may be employed as approximate crystal field eigenstates are discussed.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.448993
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  • 8
    Electronic Resource
    Electronic Resource
    Many-body perturbation theory for effective Hamiltonians using nonorthogonal basis sets (1985)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 83 (1985), S. 1758-1768 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: A diagrammatic many-body perturbation approach using nonorthogonal basis sets is used to derive explicit expressions for an Hermitian effective Hamiltonian matrix. Approximate overcompleteness is shown not to lead to any difficulties provided that an exact inverse of the overlap matrix is obtained. Applications of the formalism to crystal-field calculations are discussed in detail.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.449364
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  • 9
    Electronic Resource
    Electronic Resource
    Actinomycin D inactivating enzymes fromActinoplanes missouriensis and several other members of theActinoplanaceae family (1978)
    Springer
    Applied microbiology and biotechnology 5 (1978), S. 165-170 
    Details
    ISSN: 1432-0614
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Summary The enzymes for inactivating actinomycin D appear to be widely distributed amongst species belonging to the familyActinoplanaceae. Actinomycin D was completely or partially inactivated by cell-free extracts fromActinoplanes missouriensis, Streptosporangium viridogriseum, S. violaceocbromogenes, S. roseum, S. brasiliense, S. albidum, Spirillospora sp.,Sp. albida, Kitasatoa kauaiensis, Planobispora longispora, P. rosea, Dactylosporangium aurantiacum, andD. thailandense. No inactivation was obtained with extracts fromAmorphosphorangium auranticolor, Ampullariella lobata, Planomonospora parontospora, andP. venezuelensis. Actinomycin lactonase was partially purified by ultracentrifugation, ultrafiltration, and isoelectric focusing from noninduced cells ofActinoplanes missouriensis. The enzyme has a molecular weight of greater than 200,000 daltons and an isoelectric point of 4.3 to 4.4.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00579335
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  • 10
    Electronic Resource
    Electronic Resource
    Approximation of monomials by lower degree polynomials (1976)
    Springer
    Aequationes mathematicae 14 (1976), S. 451-455 
    Details
    ISSN: 1420-8903
    Keywords: Primary 41A50, 41A25 ; Secondary 41A10, 42A08
    Source: Springer Online Journal Archives 1860-2000
    Topics: Mathematics
    Notes: Abstract Our topic is the uniform approximation ofx k by polynomials of degreen (n〈k) on the interval [−1, 1]. Our major result indicates that good approximation is possible whenk is much smaller thann 2 and not possible otherwise. Indeed, we show that the approximation error is of the exact order of magnitude of a quantity,p k,n , which can be identified with a certain probability. The numberp k,n is in fact the probability that when a (fair) coin is tossedk times the magnitude of the difference between the number of heads and the number of tails exceedsn.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01835995
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