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Combines the two applications of density-functional theory, electronic structure and statistical mechanics, in one forum. Discusses how density- functional theory is used by quantum chemists and solid-state physicists to calculate electronic structures. Presents the use of density-functional theory in the study of phase transition and in homogeneous fluids by statistical mechanics. Emphasizes both state-of-the-art techniques in areas of application and methodology development.

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Chemical Applications of Density-Functional Theory 1996, American Chemical Society, Washington, DC

ISBN-13: 9780841234031

Hardcover