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- W2186283284 abstract "Quantum-mechanical and statistical-mechanical aspects of recent theoretical developments on equilibrium solid surfaces are discussed in this chapter.(1) Some topics in recent theoretical progress of surface science are related, more or less, to the local density functional approximation (LDA),(2,3) which is based on the density functional theory.(4,5) In the electronic structure theory on surface systems, three topics in particular might be mentioned. The first is the large-scale total energy calculations;(6–8) the second is an interesting method in molecular dynamics to obtain the most stable surface structure,(9,10) both in the LDA; and the third is the many-body theoretical correction to the electronic excitation calculated by the LDA.(11) In the statistical-mechanical physics on surfaces, roles of Monte Carlo simulation and molecular dynamics are increasingly important in analyses of general models as well as of a specific model for a particular surface system." @default.
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- W2186283284 date "1993-01-01" @default.
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- W2186283284 title "Theory of Atomic and Electronic Structure of Surfaces" @default.
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