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000044011 084__ $$2WoS$$aOptics
000044011 084__ $$2WoS$$aPhysics, Atomic, Molecular & Chemical
000044011 1001_ $$0P:(DE-Juel1)VDB6340$$aAkola, J.$$b0$$uFZJ
000044011 245__ $$aMetallic evolution of small magnesium clusters
000044011 260__ $$aBerlin$$bSpringer$$c2001
000044011 300__ $$a21
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000044011 440_0 $$01984$$aEuropean Physical Journal D$$v16$$x1434-6060
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000044011 520__ $$aStructural and electronic properties of small magnesium clusters (N less than or equal to 13) are studied using a first-principles simulation method in conjunction with the density functional theory and generalized gradient correction approximation for the exchange-correlation energy functional. It is observed that the onset of metallization of magnesium clusters is hard to assign since both the s-p hybridization and the energy gap between the valence and conduction bands do not evolve rapidly towards the known bulk properties. Instead these quantities show a slow and nonmonotonic evolution.
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000044011 7001_ $$0P:(DE-HGF)0$$aRytkönen, K.$$b1
000044011 7001_ $$0P:(DE-HGF)0$$aManninen, M.$$b2
000044011 773__ $$0PERI:(DE-600)1459071-2$$a10.1007/s100530170051$$gVol. 16, p. 21$$p21$$q16<21$$tThe @European physical journal / D$$v16$$x1434-6060$$y2001
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