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  • American Society of Hematology  (258)
  • American Institute of Physics (AIP)  (21)
  • 1
    Electronic Resource
    Electronic Resource
    Symmetry properties of product states for the system of N n-level atoms (1988)
    College Park, Md. : American Institute of Physics (AIP)
    Journal of Mathematical Physics 29 (1988), S. 1158-1162 
    Details
    ISSN: 1089-7658
    Source: AIP Digital Archive
    Topics: Mathematics , Physics
    Notes: Suppose that the state of a system of N n-level atoms is given by a tensor product of N identical density matrices. The exact formulas are presented that describe the probability that such a system may be found in a pure state with a given symmetry with respect to permutations of atoms. The asymptotic form of these probabilities valid for large N is also derived.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.527958
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  • 2
    Electronic Resource
    Electronic Resource
    Hypermagnetizability anisotropy (Cotton–Mouton effect) for H2 and D2 (1991)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 94 (1991), S. 6686-6697 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Explicitly electron-correlated wave functions have been used to calculate the hypermagnetizability anisotropy (Δη) for H2 and D2. This property is the essential feature of the birefringence of a material in the presence of a magnetic field (the Cotton–Mouton effect). The calculations were carried out in the framework of perturbation theory and both dispersion and vibrational effects were fully taken into account. A detailed analysis of our results is made and it is concluded that electron correlation and "pure'' vibrational effects are less important than vibrational averaging and dispersion. The experimental results are only in fair agreement with our theoretical ones.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.460245
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  • 3
    Electronic Resource
    Electronic Resource
    Magnetic optical rotation in H2 and D2 (1990)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 93 (1990), S. 590-599 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Results are reported of the first definitive calculation of the Verdet constant for H2 and D2. This constant governs the Faraday effect. A new and compact formalism is introduced and applied with the aid of explicitly electron correlated wave functions. After ro-vibrational and thermal averaging (factors which affect the results by about 10%), our values are in good agreement with the experimental ones, which, at best, are probably only accurate to 1%. Approximations and an appropriate dispersion formula are also discussed. Our results show that for H2 and D2 the exact constant is almost exactly proportional to the so-called normal Verdet constant for the experimentally accessible frequencies. The recommended dispersion formula for H2 is V(approximately-equal-to)2.0701 ((h-dash-bar)ω/Eh)2/[0.2435−((h-dash-bar)ω/Eh)2]2×10−7 rad e a0 (h-dash-bar)−1.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.459506
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  • 4
    Electronic Resource
    Electronic Resource
    Erratum: Quantum chaos: An entropy approach [J. Math. Phys. 35, 5674–5700 (1994)] (1995)
    College Park, Md. : American Institute of Physics (AIP)
    Journal of Mathematical Physics 36 (1995), S. 5201-5201 
    Details
    ISSN: 1089-7658
    Source: AIP Digital Archive
    Topics: Mathematics , Physics
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.531224
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  • 5
    Electronic Resource
    Electronic Resource
    Squeezing of free Bose fields (1990)
    College Park, Md. : American Institute of Physics (AIP)
    Journal of Mathematical Physics 31 (1990), S. 2327-2333 
    Details
    ISSN: 1089-7658
    Source: AIP Digital Archive
    Topics: Mathematics , Physics
    Notes: The relevant structure of a Bose Fock space using the notion of free commutative algebra with unit element and with a scalar product is incorporated. The squeezed states are then the exponentials of quadratic forms and can be written in the normal form of a general squeeze group. The connection of this group to polarization of the initial Hilbert space is established and its infinitesimal generator is computed. In this way, a common denominator for a series of papers is provided in the topic of light squeezing and last but not least a mathematical formalism is provided that may prove convenient in the general treatment of quantum optics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.528640
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  • 6
    Electronic Resource
    Electronic Resource
    Calculations of magnetic properties. V. Electron-correlated hypermagnetizabilities (Cotton–Mouton effect) for H2, N2, HF, and CO (1994)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 101 (1994), S. 424-429 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Calculations of the hypermagnetizabilities (η) at the self-consistent-field (SCF) and second-order Møller–Plesset perturbation theory (MP2) levels of theory are reported for H2, N2, HF, and CO. Electron correlation is found to be unimportant for H2, but very important for the other three molecules. The individual components of η are more affected by correlation effects than the hypermagnetizability anisotropy (Δη) which mediates the birefringence of a material in the presence of a magnetic field (the Cotton–Mouton effect). The zero-point-vibrational averaging, pure vibrational corrections, and frequency dependence are important for the individual components, but are less important for Δη due to cancellation between the various contributions. Excellent agreement is found with the previous theoretical results for H2, but only fair agreement with the experimental results for N2 and CO.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.468151
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  • 7
    Electronic Resource
    Electronic Resource
    Vibrational corrections for some electric and magnetic properties of H2, N2, HF, and CO (1994)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 101 (1994), S. 2180-2185 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The effects of vibration on certain electric and magnetic properties of H2, N2, HF, and CO are reported. These properties include electric field gradients, generalized Sternheimer shielding constants, electric-field-gradient polarizabilities, nuclear shielding constants, and shielding polarizabilities. The calculations were based on both electron correlated and uncorrelated methods. Pure vibrational effects, where appropriate, were investigated as well as conventional vibrational averaging. It is found that in many cases vibration plays a very significant role.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.467724
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  • 8
    Electronic Resource
    Electronic Resource
    Calculation of the electric field gradients, generalized Sternheimer shielding constants, and electric-field-gradient polarizabilities for ten small molecules (1994)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 100 (1994), S. 6628-6632 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Electric field gradients, generalized Sternheimer shielding constants, and electric-field-gradient polarizabilities are calculated for H2, N2, F2, HF, HCl, CO, HCN, HNC, H2O, and NH3. The calculations are performed at both the Hartree–Fock and second order Møller–Plesset levels of approximation using large basis sets. For most of these molecules this is the first time that the shielding constants and electric field gradient polarizabilities have been determined. Electron correlation is generally found to be a significant factor.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.467020
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  • 9
    Electronic Resource
    Electronic Resource
    Many-body theory of intermolecular induction interactions (1994)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 100 (1994), S. 4998-5010 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The second-order induction energy in the symmetry-adapted perturbation theory is expressed in terms of electron densities and polarization propagators at zero frequency of the isolated monomers. This expression is used to derive many-body perturbation series with respect to the Møller–Plesset type correlation potentials of the monomers. Two expansions are introduced—one based on the standard Møller–Plesset expansion of electron densities and polarization propagators, and the second accounting for the so-called response or orbital relaxation effects, i.e., for the perturbation induced modification of the monomer's Fock operators. Explicit orbital formulas for the leading perturbation corrections that correctly account for the response effects are derived through the second order in the correlation potential. Numerical results are presented for several representative van der Waals complexes—a rare gas atom and an ion Ar–Na+, Ar–Cl−, and He–F−; a polar molecule and an ion H2O–Na+ and H2O–Cl−; two polar molecules (H2O)2; and a rare gas atom and a polar molecule Ar–HCl and He–HCl. It is shown that in the above systems, the significance of the correlation part of the induction energy varies from a very important one in the complexes of rare gas atoms and ions to a practically negligible one in the complexes of rare gases with polar molecules.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.467218
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  • 10
    Electronic Resource
    Electronic Resource
    Calculations of magnetic properties. IV. Electron-correlated magnetizabilities and rotational g factors for nine small molecules (1994)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 100 (1994), S. 2019-2026 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Calculations of the magnetizabilities and the rotational g factors at the self-consistent-field (SCF) and second-order Møller–Plesset perturbation theory (MP2) levels of theory are reported for H2, N2, F2, HF, CO, HCN, HNC, H2O, and NH3. The sums rules, that verify the reliability of the calculations, are shown to be well satisfied. The second-order correlation corrections to the magnetizabilities are found to be small, thus substantiating the generally observed good agreement between the experimental and SCF results. Vibrational corrections to the properties of the diatomic molecules are given. Very good agreement is found between the experimental and vibrationally corrected MP2 rotational g factors for the diatomic molecules.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.467234
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