Física Teórica, Atómica y Óptica
Departamento
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Queen's University
Kingston, CanadáPublicaciones en colaboración con investigadores/as de Queen's University (35)
2013
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An Orbital Free ab initio Method: Applications to Liquid Metals and Clusters
Recent Progress in Orbital-free Density Functional Theory (World Scientific Publishing Co.), pp. 55-145
2011
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Expanded fluid mercury in the metal-nonmetal transition range. An ab-initio MD study
European Physical Journal: Special Topics, Vol. 196, Núm. 1, pp. 27-34
2009
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Ab initio molecular dynamics study of the static, dynamic, and electronic properties of liquid mercury at room temperature
Journal of Chemical Physics, Vol. 130, Núm. 19
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First-principles study of the layering at the free liquid Sn surface
Physical Review B - Condensed Matter and Materials Physics, Vol. 80, Núm. 11
2008
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On the behavior of single-particle dynamic properties of liquid Hg and other metals
Journal of Chemical Physics, Vol. 129, Núm. 17
2007
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Liquid-vapor interface in the Li-Na liquid alloy. An ab initio molecular dynamics study
Journal of Non-Crystalline Solids, Vol. 353, Núm. 32-40, pp. 3560-3564
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Surface structure in simple liquid metals. A first principles simulation
Journal of Non-Crystalline Solids, Vol. 353, Núm. 32-40, pp. 3555-3559
2006
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Pressure-induced structural and dynamical changes in liquid Si - An ab initio study
Journal of Physics Condensed Matter, Vol. 18, Núm. 15, pp. 3591-3605
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Structural and dynamical properties of liquid Si: An Orbital-free molecular dynamics study
Physical Review B - Condensed Matter and Materials Physics, Vol. 73, Núm. 6
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Surface structure in simple liquid metals: An orbital-free first-principles study
Physical Review B - Condensed Matter and Materials Physics, Vol. 74, Núm. 1
2005
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Collective modes in liquid binary alloys. An ab initio molecular dynamics study of the LiMg and LiBa alloys
Journal of Physics Condensed Matter, Vol. 17, Núm. 10, pp. 1429-1456
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Interplay between the ionic and electronic density profiles in liquid metal surfaces
Journal of Chemical Physics, Vol. 123, Núm. 20
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Liquid-vapor interface in liquid binary alloys: An ab initio molecular dynamics study
Physical Review Letters, Vol. 94, Núm. 7
2004
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Kohn-Sham ab initio molecular dynamics study of liquid A1 near melting
Physical Review B - Condensed Matter and Materials Physics, Vol. 70, Núm. 13
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Microscopic dynamics in the liquid Li-Na alloy: An ab initio molecular dynamics study
Physical Review E - Statistical, Nonlinear, and Soft Matter Physics, Vol. 69, Núm. 3 1
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Surface Structure of Liquid Li and Na: An ab initio Molecular Dynamics Study
Physical Review Letters, Vol. 92, Núm. 8
2003
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Collective ionic dynamics in the liquid Na-Cs alloy: An ab initio molecular dynamics study
Physical Review E - Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics, Vol. 67, Núm. 4, pp. 14
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Collective ionic dynamics in the liquid Na-Cs alloy: An ab initio molecular dynamics study
Physical Review E - Statistical, Nonlinear, and Soft Matter Physics, Vol. 67, Núm. 4 1, pp. 412041-4120414
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Dynamic structure in a molten binary alloy by ab initio molecular dynamics: Crossover from hydrodynamics to the microscopic regime
Europhysics Letters, Vol. 62, Núm. 1, pp. 42-48
2002
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Atomic dynamics in simple liquid metals and alloys
Journal of Non-Crystalline Solids, Vol. 312-314, pp. 110-120