Search Results - "Trail, John"

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  1. 1

    Waiting for It by Snyder, Michael O.

    Published in The Virginia quarterly review (01-01-2017)
    “…Snyder shares his camping experience with his brother at Silver Pass. He struggled to sleep at night beset by the visions of being crushed by a wayward pine…”
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    Journal Article
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    Correlated Electron Pseudopotentials for 3d-Transition Metals by Trail, John, Needs, Richard

    Published 04-02-2015
    “…J. Chem. Phys. 142, 064110 (2015) A recently published correlated electron pseudopotentials (CEPPs) method has been adapted for application to the…”
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    Journal Article
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    Shape and Energy Consistent Pseudopotentials for Correlated Electron systems by Trail, John R, Needs, Richard J

    Published 15-05-2017
    “…J. Chem. Phys. 146, 204107 (2017) A method is developed for generating pseudopotentials for use in correlated-electron calculations. The paradigms of shape and…”
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    Comparison of Smooth Hartree-Fock Pseudopotentials by Trail, John R, Needs, Richard J

    Published 02-05-2014
    “…J. Chem. Theory Comput. 10, 2049 (2014) The accuracy of two widely used scalar-relativistic Hartree-Fock pseudopotentials, the Trail-Needs-Dirac-Fock (TNDF)…”
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    Journal Article
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    Quantum Monte Carlo study of the energetics of the rutile, anatase, brookite, and columbite TiO$_2$ polymorphs by Trail, John, Monserrat, Bartomeu, Ríos, Pablo López, Maezono, Ryo, Needs, Richard J

    Published 27-10-2016
    “…Phys. Rev. B 95, 121108 (2017) The relative energies of the low-pressure rutile, anatase, and brookite polymorphs and the high-pressure columbite polymorph of…”
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    Journal Article
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    A compact scanning soft X-ray microscope by Trail, John Anderson

    “…Soft x-ray microscopes operating at wavelengths between 2.3 nm and 4.4 nm are capable of imaging wet biological cells with a resolution many times that of a…”
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    Dissertation
  11. 11

    Optimum and efficient sampling for variational quantum Monte Carlo by Trail, John Robert, Maezono, Ryo

    Published 19-11-2010
    “…J. Chem. Phys. 133, 174120 (2010) Quantum mechanics for many-body systems may be reduced to the evaluation of integrals in 3N dimensions using Monte-Carlo,…”
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    Journal Article
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    Exact and approximate Kohn-Sham potentials in ensemble density-functional theory by Yang, Zeng-hui, Trail, John R, Pribram-Jones, Aurora, Burke, Kieron, Needs, Richard J, Ullrich, Carsten A

    Published 01-09-2014
    “…Phys. Rev. A 90, 042501 (2014) We construct exact Kohn-Sham potentials for the ensemble density-functional theory (EDFT) from the ground and excited states of…”
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    Journal Article
  13. 13

    Excitations and benchmark ensemble density functional theory for two electrons by Pribram-Jones, Aurora, Yang, Zeng-hui, Trail, John R, Burke, Kieron, Needs, Richard J, Ullrich, Carsten A

    Published 25-02-2014
    “…J. Chem. Phys. 140, 18A541 (2014) A new method for extracting ensemble Kohn-Sham potentials from accurate excited state densities is applied to a variety of…”
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    Journal Article
  14. 14

    Core reconstruction in pseudopotential calculations by Trail, John Robert

    Published 01-01-1998
    “…Total energy pseudopotential methods are amongst the most powerful techniques currently available for the ab initio calculation of the properties of materials…”
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    Dissertation
  15. 15

    Energies of the first row atoms from quantum Monte Carlo by Brown, Matthew, Trail, John Robert, Rios, Pablo Lopez, Needs, Richard

    Published 19-11-2010
    “…J. Chem. Phys. 126, 224110 (2007) All-electron variational and diffusion quantum Monte Carlo calculations of the ground state energies of the first row atoms…”
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    Journal Article
  16. 16

    A compact scanning soft X-ray microscope by Trail, John Anderson

    Published 01-01-1989
    “…Soft x-ray microscopes operating at wavelengths between 2.3 nm and 4.4 nm are capable of imaging wet biological cells with a resolution many times that of a…”
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    Dissertation
  17. 17

    Factors Limiting Liveweight Gain of Beef Cattle on Rangeland in Botswana by Pratchett, David, Capper, Brian G., Light, Darrell E., Miller, Mark D., Rutherford, Alistair S., Rennie, Thomas W., Buck, Nicholas G., Trail, John C.

    Published in Journal of range management (01-11-1977)
    “…Six range parameters measured monthly over an 11-month period on nine ranches distributed throughout the main ecological zones of Botswana were related to the…”
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    Journal Article
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