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  • 1
    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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  • 2
    Electronic Resource
    Electronic Resource
    Modelling of eddy currents induced in human brain by transcranial magnetic stimulation (1998)
    Bradford : Emerald
    Compel 17 (1998), S. 257-260 
    Details
    ISSN: 0332-1649
    Source: Emerald Fulltext Archive Database 1994-2005
    Topics: Electrical Engineering, Measurement and Control Technology , Mathematics
    Notes: Deals with the problems of interactions between the electromagnetic field and the human brain. In particular, the problem of eddy currents in brain tissue induced for medical purposes is discussed. The mathematical modelling of the phenomenon is presented.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1108/03321649810369429
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  • 3
    Electronic Resource
    Electronic Resource
    Computer simulation of dynamic states of the silicon micromotor (1998)
    Bradford : Emerald
    Compel 17 (1998), S. 307-312 
    Details
    ISSN: 0332-1649
    Source: Emerald Fulltext Archive Database 1994-2005
    Topics: Electrical Engineering, Measurement and Control Technology , Mathematics
    Notes: This paper presents the results of silicon micromotor static and dynamic simulations by means of finite element method and the Moulton-Adams algorithm as well. Capacitance and torque curves calculation. The virtual work principle has been applied. The dynamic states of the motor are described by the non-linear and non-stationary system of ordinary difference equations solved numerically. Some results of computer simulation of dynamic states are presented and discussed.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1108/03321649810369465
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  • 4
    Electronic Resource
    Electronic Resource
    Ab initio potential energy surfaces for He–Cl2, Ne–Cl2, and Ar–Cl2 (1999)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 110 (1999), S. 7745-7755 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The three-dimensional ground state potential energy surfaces for He–Cl2, Ne–Cl2, and Ar–Cl2 have been calculated using the single and double excitation coupled-cluster approach with noniterative perturbational treatment of triple excitations [CCSD(T)]. Calculations have been performed with the augmented correlation consistent triple zeta basis sets supplemented with an additional set of bond functions. Single point calculations for approximate minima have also been performed with several other basis sets including the quadruple zeta basis set (aug-cc-pVQZ) with bond functions. For He–Cl2 and Ar–Cl2 the CCSD(T) results show that the linear configuration is lower in energy than the T-shaped one. For Ne–Cl2 the CCSD(T) approach predicts the T-shaped configuration to be lower in energy. The linear configuration has been found to be more sensitive than the T-shaped one to the changes of the Cl–Cl bond length with the interaction becoming weaker when the Cl–Cl bond length is shortened from its equilibrium value and stronger when it is lengthened. More detailed analysis shows that sensitivity of component energies such as exchange, dispersion, and induction is much greater than that of supermolecule results. The interaction in the T-shaped configuration becomes slightly stronger for shorter Cl–Cl bonds. For He–Cl2 and Ar–Cl2 the larger zero-point vibrational energy of the linear configuration is responsible for making the T-shaped configuration the ground vibrational state. Vibrational effects further increase the difference in energy between the ground state T-shaped configuration of Ne–Cl2 and its linear counterpart. © 1999 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.478683
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  • 5
    Electronic Resource
    Electronic Resource
    Partitioning of interaction energy in van der Waals complexes involving excited state species: The He(1S)+Cl2(B 3Πu) interaction (1995)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 103 (1995), S. 10116-10127 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The partitioning of interaction energy between a closed-shell and an open-shell system is proposed. This allows us to describe the unrestricted Møller–Plesset interaction energy as a sum of fundamental contributions: electrostatic, exchange, induction and dispersion. The supermolecular energies derived within unrestricted Møller–Plesset perturbation theory are analyzed in terms of perturbation theory of intermolecular forces. The latter has been generalized to allow for the description of monomer wave functions within the unrestricted Hartree–Fock approach. The method is applied to the potential energy surfaces for the first excited triplet states, 3A′ and 3A″, of the He+Cl2(3Πu) complex. The 3A′ and 3A″ potential energy surfaces have different shapes. The lower one, 3A′, has a single minimum for the T-shaped structure. The higher one, 3A″, has the global minimum for the T-shaped structure and the secondary minimum for a linear orientation. The calculated well depth for the 3A′ state is 31.1 cm−1 at the 3.75 A(ring) intersystem separation at the UMP2 level with extended basis set involving bond functions. The 3A″ well depth is approximately 2.3 cm−1 smaller at this level. This order is reversed by higher correlation effects. The angular and radial behaviors of the individual components of the 3A′ and 3A″ interaction energies are compared to reveal the different nature of interaction energies in both states. A comparison with the ground state reveals that the A″ state has a typical van der Waals character similar to that of the ground state. The A′ state, on the other hand, differs considerably from the ground state. The A′ and A″ states differ primarily in different role of the intramonomer correlation effects. © 1995 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.469913
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  • 6
    Electronic Resource
    Electronic Resource
    Ab initio study of the He(1S)+CH(X 2Π) interaction (1996)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 105 (1996), S. 9525-9535 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Potential energy surfaces for the 2A′ and 2A″ states of the He(1S)–CH(X 2Π) complex were calculated using supermolecular unrestricted Møller–Plesset perturbation theory and analyzed via the relevant perturbation theory of intermolecular forces. It has been found that the two states are distinctly different. The potential energy surface (PES) of the A″ state has only a single and relatively deep minimum of De≈335 μEh for the T-shaped geometry, at R=5.0 a0 and aitch-theta=100°. The position of this minimum is determined by the exchange repulsion which is substantially reduced at this geometry. The minimum is unusually deep for a complex of He, and it can be viewed as an example of an incipient chemical bond. In contrast, the A′ state's PES represents a typical van der Waals interaction which is characterized by two similarly deep minima. The shape and location of these minima are determined primarily by the anisotropy of the dispersion component. The first minimum occurs for the collinear He–C–H arrangement, at R≈7.5 a0, and aitch-theta=0°, and is 55 μEh deep. The second minimum has a troughlike form which joins the region between R=7.5 a0, aitch-theta=140° and R=8.0 a0, aitch-theta=180°. The lowest point is approximately 54 μEh deep and occurs at R=7.5 a0 and aitch-theta=140°. © 1996 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.472820
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  • 7
    Electronic Resource
    Electronic Resource
    Ab initio study of the O2(X 3Σ−g)+He(1S) van der Waals cluster (1996)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 104 (1996), S. 7997-8002 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Potential energy surface for the He(1S)+O2(X 3Σ−g) interaction is calculated using the supermolecular unrestricted Møller-Plesset perturbation theory approach and is analyzed via the perturbation theory of intermolecular forces. The latter has been generalized to provide a decomposition of the interaction energies into electrostatic, exchange, induction, and dispersion constituents for monomers described by unrestricted Hartree–Fock determinants. The global minimum occurs for the T-shaped geometry, around 6.0a0. Our UMP4 estimate of the well depth of the global minimum is De=27.7 cm−1. This value is expected to be accurate to within a few percent. The potential energy surface reveals also a local minimum for the collinear geometry at about 7.0a0. The well depth for the secondary minimum is estimated at De=25.5 cm−1(UMP4) and is expected to be accurate within a few percent. The minima are separated by a barrier of 7.5 cm−1. The energy partitioning reveals that the origin of interaction in this complex is typical for van der Waals clusters involving He. The global minimum is determined by the minimum in the exchange repulsion in the direction perpendicular to the O–O bond. The secondary linear minimum results from the maximum dispersion attraction and enhanced by a slight flattening of the electron density near the ends of the interoxygen axis. © 1996 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.471516
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  • 8
    Electronic Resource
    Electronic Resource
    Calculation of magnetic properties. VI. Electron correlated nuclear shielding constants and magnetizabilities for thirteen small molecules (1997)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 106 (1997), S. 4082-4090 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The theory of relaxed density matrices has been developed for the calculation of second-order response properties at third-order Møller–Plesset (MP3) and linearized coupled cluster double excitation (L-CCD) levels of theory. The ensuing algorithm is applied to the determination of the isotropic and anisotropic nuclear magnetic shielding constants and magnetizabilities for thirteen molecules (H2, N2, F2, HF, CO, HCN, HNC, H2O, NH3, H2O2, HCHO, CH4, and HCCH). The method uses conventional gauge-variant orbitals but, by using large basis sets, produces results which are equivalent to those found with gauge-including orbitals. In general the L-CCD values of the magnetizabilities are consistent with those obtained with multiconfigurational self-consistent-field (MCSCF) methods for molecules which have been treated by this method. For the nuclear shieldings, when there is a difference between L-CCD and MP3, the former gives results closer to the coupled-cluster singles and doubles level treatment augmented with a perturbation correction for connected triple excitations [CCSD(T)] which is our reference point. Again the results for the shieldings at the L-CCD level are quite good. We also use the paramagnetic components of the shieldings and magnetizabilities to determine the spin-rotation constants and rotational g tensors, respectively. These quantities are important since they may be compared more directly with experiment than the magnetizabilities and shieldings. © 1997 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.473123
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  • 9
    Electronic Resource
    Electronic Resource
    The impact of horizontal resolution on moist processes in the ECMWF model (1995)
    Springer
    Climate dynamics 11 (1995), S. 85-102 
    Details
    ISSN: 1432-0894
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract. Summer and winter climates simulated with the ECMWF (cycle 33) model at spectral scales T21, T42, T63 and T106 are analyzed to determine the impact of changes in horizontal resolution on atmospheric water vapor, clouds, convection, and precipitation. Qualitative changes in many moist processes occur in the transition from T21 to T42, especially in the tropics; at higher resolutions mostly incremental variations from patterns established at T42 result. Large-scale tropical moist processes are simulated more realistically at T21 than at finer resolutions, possibly reflecting a mismatch between the finer-scale dynamics and the scales at which the underlying assumptions of the physical parameterizations apply. Global precipitation increases monotonically with resolution, as a consequence of increasing convection. Global cloud cover, however, decreases in the transition from T21 to T42 due to drying of the tropics, but then increases slightly at finer resolutions. These small global increases are an outcome of compensating changes in different regions: decreases in cloud cover due to drying of the atmosphere at low latitudes are offset by high-latitude increases resulting from enhanced relative humidity associated with an intensifying atmospheric cold bias at finer resolutions.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/s003820050062
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  • 10
    Electronic Resource
    Electronic Resource
    Study of the fusion-fission process in the 35Cl +24Mg reaction (1998)
    Springer
    The European physical journal 2 (1998), S. 281-293 
    Details
    ISSN: 1434-601X
    Keywords: PACS:24.60.Dr Statistical compound-nucleus reactions – 25.70.Gh Compound nucleus – 25.70.Jj Fusion and fusion-fission reaction – 25.70.-z Low and intermediate energy heavy-ion reactions
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract: Fusion-fission and fully energy-damped binary processes of the 35Cl+24Mg reaction were investigated using particle-particle coincidence techniques at a 35Cl bombarding energy of Elab≈ 8 MeV/nucleon. Inclusive data were also taken in order to determine the partial wave distribution of the fusion process. The fragment-fragment correlation data show that the majority of events arises from a binary-decay process with a relatively large multiplicity of secondary light-charged particles emitted by the two primary excited fragments in the exit channel. No evidence is observed for ternary-breakup processes, as expected from the systematics recently established for incident energies below 15 MeV/nucleon and for a large number of reactions. The binary-process results are compared with predictions of statistical-model calculations. The calculations were performed using the Hauser-Feshbach method, based on the available phase space at the scission point of the compound nucleus. This new method uses temperature-dependent level densities and its predictions are in good agreement with the presented experimental data, thus consistent with the fusion-fission origin of the binary fully-damped yields.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/s100500050121
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