Oxford Centre for High Energy Density Science (OxCHEDS)

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Studies in multiconfiguration Dirac-Fock theory. IV. The low-lying spectrum of bismuth I

Journal of Physics B Atomic Molecular and Optical Physics IOP Publishing 11:20 (1978) 3499

Authors:

SJ Rose, IP Grant, NC Pyper
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Women in the Military

Armed Forces & Society SAGE Publications 4:4 (1978) 695-716

Authors:

Edna J Hunter, Sharon J Rose, J Bradley Hamlin
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The direct and indirect effects in the relativistic modification of atomic valence orbitals

Journal of Physics B Atomic Molecular and Optical Physics IOP Publishing 11:7 (1978) 1171

Authors:

SJ Rose, IP Grant, NC Pyper
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Studies in multiconfiguration Dirac-Fock theory. II. The even-parity low-lying spectrum of Ba I

Journal of Physics B Atomic Molecular and Optical Physics IOP Publishing 11:5 (1978) 755

Authors:

SJ Rose, NC Pyper, IP Grant
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A molecular dynamics framework coupled with smoothed particle hydrodynamics for quantum plasma simulations

Physical Review Research American Physical Society

Authors:

Thomas Campbell, Pontus Svensson, Brett Larder, Daniel Plummer, Sam Vinko, Gianluca Gregori

Abstract:

We present a novel scheme for modelling quantum plasmas in the warm dense matter (WDM) regime via a hybrid smoothed particle hydrodynamic - molecular dynamic treatment, here referred to as ‘Bohm SPH’. This treatment is founded upon Bohm’s interpretation of quantum mechanics for partially degenerate fluids, does not apply the Born-Oppenheimer approximation, and is computationally tractable, capable of modelling dynamics over ionic timescales at electronic time resolution. Bohm SPH is also capable of modelling non-Gaussian electron wavefunctions. We present an overview of our methodology, validation tests of the single particle case including the hydrogen 1s wavefunction, and comparisons to simulations of a warm dense hydrogen system performed with wave packet molecular dynamics.