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  • 1
    Electronic Resource
    Electronic Resource
    On the measurement of (predissociation) rates in the frequency and time domains (1990)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 92 (1990), S. 7718-7719 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.458159
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  • 2
    Electronic Resource
    Electronic Resource
    Quantal treatment of the low energy collision of Ne*(3P0,2) with H2(1∑+g,v=0) (1987)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 87 (1987), S. 4619-4621 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: A close-coupling channel computation of Ne*(3P0,2)–H2 (1∑+g, v=0) collisions, using the ab initio potentials given in a preceding paper, is reported. The molecule is considered as a rigid rotator. The autoionizing character of states dissociating into Ne* (2p53s)+H2 is ignored. Consequently Penning and chemi-ionizations are not considered. Combined fine structure and rotational transitions are the only inelastic channels expected. By means of a deflation procedure, collision channels leading to Ne*(1P1) are shown to be negligible in the present energy range (E≤175 meV). The "fragment'' basis (i.e., Ne*+H2 at infinite R) is adapted to the collision treatment since all off-diagonal elements of the electronic Hamiltonian, including the spin–orbit interaction (static couplings) are small. The coupling of angular momenta ( j1=0,1,2 of Ne*, j2=0,2 of para-H2, 1 of ortho-H2, l for the relative motion) leads to 27 coupled equations for ortho-H2 and 54 equations for para-H2, for each value of the total angular momentum J. These equations are solved by using the algorithm of Gordon, and the 81×81 S matrix is derived. The rotational excitation ( j2=0→2) probability takes a maximum value of the order of 10−2 at J≈15.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.452874
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  • 3
    Electronic Resource
    Electronic Resource
    Ab initio calculation of adiabatic potential surfaces for Ne*(2p53s,1,3P)+H2(1Σ+g) (1987)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 87 (1987), S. 6000-6003 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Adiabatic potential surfaces have been computed ab initio for molecular states dissociating into Ne* (2p 53s,1,3P)+H2(1Σ+g). The distance R between Ne* and H2 ranges from 5 up to 50 a0. The distance r between H atoms is kept constant, equal to its equilibrium value (1.4 a0). The interaction with the electronic continuum is ignored. Potentials, including spin–orbit interaction, are fitted to analytic forms. Specific molecular properties of the system are discussed.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.453523
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  • 4
    Electronic Resource
    Electronic Resource
    Reply to the comment on: On the measurement of (predissociation) rates in the frequency and time domains (1991)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 94 (1991), S. 8636-8637 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.460053
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  • 5
    Electronic Resource
    Electronic Resource
    Regulated propagator on the flat torus and its Weyl properties (1992)
    College Park, Md. : American Institute of Physics (AIP)
    Journal of Mathematical Physics 33 (1992), S. 3150-3158 
    Details
    ISSN: 1089-7658
    Source: AIP Digital Archive
    Topics: Mathematics , Physics
    Notes: The regulated propagator G'ε(ξ,ξ') is considered for points ξ and ξ' on the two-dimensional flat torus and with a regularization analogous to the proper-time method with cut-off ε. The inequivalent tori are labeled by a modular parameter τ. In this regularization, the propagator has an expansion in eigenmodes which is a particular Jacobi–Riemann function with beautiful properties and which can be transformed to an integral representation by a Sommerfeld–Watson method. This latter method allows one to derive exact analytic expressions in several domains of the parameters ||ξ−ξ'||, ε, and of the parameter τ. For generic value of τI≡Im(τ) and small value of the cut-off ε we recover the known results relative to short-distance phenomena. At large value of τI(approximately-equal-to)O(cst/4πε), the propagator diverges as τI and the coefficient is computed. A general formula for the Weyl variation of the propagator is derived; again the behavior of the Weyl variation at fixed τI is reproduced, while the behavior at large τI is novel. As a result we find that to O((square root of)1/τI) the Weyl variation of the propagator at large τI is local in the Weyl variation δcursive-phi(ξ).
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.529533
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  • 6
    Electronic Resource
    Electronic Resource
    Combined fluctuating charge and polarizable dipole models: Application to a five-site water potential function (2001)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 115 (2001), S. 2237-2251 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: We present a general formalism for polarizable electrostatics based on fluctuating bond-charge increments and polarizable dipoles and its application to a five-site model for water. The parametrization is based largely on quantum-chemical calculations and should be easily transferable to other molecules. To examine basis-set effects we parametrized two models from two sets of quantum calculations, using the aug-cc-pVTZ and aug-cc-pVQZ basis sets. We computed several gas-phase and condensed-phase properties and compared with experiment or ab initio calculations as available. The models are quite similar and give condensed-phase properties at ambient conditions that are in reasonable accord with experiment, but evince errors consistent with a liquid-state dipole moment that is slightly too large. The model fit to the aug-cc-pVTZ basis set has a smaller liquid-phase dipole moment and thus gives a somewhat better description of liquid water at ambient conditions. This model also performs well away from room temperature, deviating less than 2% from the experimental density from 0 to 100 °C, and showing good agreement with experimental radial distribution functions, although the temperature of maximum density (∼20 °C) is slightly too high and the model somewhat underpredicts the persistence of the hydrogen-bond network at elevated temperatures. © 2001 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.1376165
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  • 7
    Electronic Resource
    Electronic Resource
    Quantum effects in liquid water: Path-integral simulations of a flexible and polarizable ab initio model (2001)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 115 (2001), S. 7622-7628 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: We examine quantum effects in liquid water at ambient conditions by performing path-integral molecular dynamics simulations of a flexible, polarizable water model that was parameterized from ab initio calculations. The quantum liquid is less structured and has a smaller binding energy, in accord with previous simulations. The difference between the quantum and classical liquid binding energies (∼1.5 kcal/mol) is in reasonable agreement with a simple harmonic model, and is somewhat larger than previous estimates in the literature. Quantum effects do not appear to significantly modify the average induced dipole moment for a polarizable model, although the distribution is broader, especially for the component along the C2 axis of symmetry. © 2001 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.1407287
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  • 8
    Electronic Resource
    Electronic Resource
    Force microscope using a fiber-optic displacement sensor (1988)
    [S.l.] : American Institute of Physics (AIP)
    Review of Scientific Instruments 59 (1988), S. 2337-2340 
    Details
    ISSN: 1089-7623
    Source: AIP Digital Archive
    Topics: Physics , Electrical Engineering, Measurement and Control Technology
    Notes: A force microscope is described which uses a fiber-optic interferometer as the cantilever displacement sensor. Low thermal drift and reduced susceptibility to laser frequency variation are achieved due to the small (several micrometer) size of the interferometer cavity. A sensitivity of 1.7×10−4 A(ring)/(Hz)1/2 is observed for frequencies above 2 kHz. The drift rate of the sensor is on the order of 3 A(ring)/min. As an initial demonstration, laser-written magnetic domains in a thin film sample of TbFeCo were imaged.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.1139958
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  • 9
    Electronic Resource
    Electronic Resource
    Focusing of multiply charged energetic ions using solenoidal B and radial E lenses (1987)
    [S.l.] : American Institute of Physics (AIP)
    Review of Scientific Instruments 58 (1987), S. 220-222 
    Details
    ISSN: 1089-7623
    Source: AIP Digital Archive
    Topics: Physics , Electrical Engineering, Measurement and Control Technology
    Notes: Several large-solid-angle devices for collecting, at a common focus, multiply charged heavy ions from nuclear reactions have been studied. These devices use axial magnetic fields (solenoids), radial electric fields (coaxial lenses), or a combination of these. Although each system has particular advantages and disadvantages, several designs appear promising for use as practical devices.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.1139311
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  • 10
    Electronic Resource
    Electronic Resource
    Tests of a large air-core superconducting solenoid as a nuclear-reaction-product spectrometer (1987)
    [S.l.] : American Institute of Physics (AIP)
    Review of Scientific Instruments 58 (1987), S. 1682-1693 
    Details
    ISSN: 1089-7623
    Source: AIP Digital Archive
    Topics: Physics , Electrical Engineering, Measurement and Control Technology
    Notes: An air-core superconducting solenoid, with a diameter of 0.2 m and a length of 0.4 m, has been configured for use as a heavy-ion reaction-product spectrometer (E/A≤5 MeV/u) near θ=0 °. The spectrometer has a large solid angle (10–35 msr) and properties suitable for time-of-flight measurements with flight paths (approximately-greater-than) 2 m. The performance of the spectrometer was established using α-particle sources and nuclear-reaction products from heavy-ion collisions. The characteristics of air-core magnets are compared to those of steel-yoke magnets. The simplicity and ease of operation of the air-core magnet, without significant problems from the (axial) fringe fields, suggests that larger air-core magnets with dΩ≥20 msr and capable of focusing ions with E/A≥30 MeV/u are feasible. Other applications of solenoids and combinations of solenoids with radial electric-field lenses (ELCO lenses) are also discussed, including designs which focus more than one charge state simultaneously.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.1139368
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