Structure of Liquid Metal Surfaces: A First Principles Perspective - Metallic Systems: A Quantum Chemist's Perspective - page 162

. 66.. González,. D.J.,. González,. L.E.,. and. Stott,. M.J.,. Surface. structure. in. simple. liquid.
metals..A.irst.principles.simulation,. J. Non-Cryst. Sol .,.353,.3555,.2007.
. 67.. González,.L.E..and.González,.D.J.,.Structure.and.dynamics.of.bulk.liquid.Ga.and.the.
liquid-vapor.interface:.An.ab.initio.study,. Phys. Rev. B ,.77,.064202,.2008.
. 68.. González,.D.J.,.González,.L.E.,.and.Stott,.M.J.,.Liquid-vapor.interface.in.liquid.binary.
alloys:.An.ab.initio.molecular.dynamics.study,. Phys. Rev. Lett .,.94,.077801,.2005.
. 69.. González,.D.J..and.González,.L.E.,.Structure.and.motion.at.the.liquid-vapor.interface.
of.some.interalkali.binary.alloys:.An.orbital-free.ab.initio.study,. J. Chem. Phys .,.130,.
114703,.2009.
. 70.. Walker,. B.G.,. Ab Initio Molecular Dynamics Studies of Liquid Metal Surfaces ,. PhD.
thesis,.University.of.Cambridge,.2004.
. 71.. Walker,.B.G.,.Molteni,.C.,.and.Marzari,.N.,.Ab.initio.molecular.dynamics.of.metal.sur-
faces,. J. Phys. Condens. Matter ,.16,.S2575,.2004.
. 72.. Walker,. B.G.,. Marzari,. N.,. and. Molteni,. C.,.Ab. initio. studies. of. layering. behavior. of.
liquid.sodium.surfaces.and.interfaces,. J. Chem. Phys .,.124,.174702,.2006.
. 73.. Walker,.B.G.,.Marzari,.N.,.and.Molteni,.C.,.Layering.at.liquid.metal.surfaces:.Friedel.
oscillations.and.coninement.effects,. J. Phys.: Cond. Matter ,.18,.L269,.2006.
. 74.. Walker,. B.G.,. Marzari,. N.,. and. Molteni,. C.,. In-plane. structure. and. ordering. at. liquid.
sodium.surfaces.and.interfaces.from.ab.initio.molecular.dynamics,. J. Chem. Phys .,.127,.
134703,.2007.
. 75.. Hockney,. R.W.,. The. potential. calculation. and. some. applications,. in. Methods in
Computational Physics ,.vol..9,.Plasma.Physics,.Alder,.B.,.Fernbach,.S.,.and.Rotenberg.
M.,.Eds.,.Academic.Press,.New.York/London,.1970.
. 76.. Hoover,.W.G..et.al.,.Nonequilibrium.molecular.dynamics.via.Gauss's.principle.of.least.
constraint,. Phys. Rev. A ,.28,.1016,.1983.
. 77.. Baldereschi,.A.,.Mean-value.point.in.the.Brillouin.zone,. Phys. Rev. B ,.7,.5212,.1973.
. 78.. Troullier,. N.. and. Martins,. J.L.,. Eficient. pseudopotentials. of. plane-wave. calculations,.
Phys. Rev. B ,.43,.1993,.1991.
. 79.. Perdew,.J.P..and.Wang,.Y.,.Accurate.and.simple.analytic.representation.of.the.electron-
gas.correlation.energy,. Phys. Rev. B ,.45,.13244,.1992.
. 80.. Louie,. S.G.,. Froyen,. S.,. and. Cohen,. M.L.,. Nonlinear. ionic. pseudopotentials. in. spin-
density-functional.calculations,. Phys. Rev. B ,.26,.1738,.1982.
. 81.. Reichert,.H..et.al.,.Observation.of.ive-fold.local.symmetry.in.liquid.lead,. Nature ,.408,.
839,.2000.