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Carbon alloys : novel concepts to develop carbon science and technology
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ISBN: 0080441637 9786611072346 1281072346 0080528538 9780080441634 9780080528533 9781281072344 6611072349 Year: 2003 Publisher: Amsterdam : London : Elsevier,

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Abstract

In recent years the Japanese have funded a comprehensive study of carbon materials which incorporate other elements including boron, nitrogen and fluorine, hence the title of the project ""Carbon Alloys"". Coined in 1992, the phrase ""Carbon Alloys"" can be applied to those materials mainly composed of carbon materials in multi-component systems. The carbon atoms of each component have a physical and/or chemical interactive relationship with other atoms or compounds. The carbon atoms of the components may have different hybrid bonding orbitals to create quite different carbon compone

Quantal density functional theory
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ISBN: 3540408843 3642074197 3662096242 9783540408840 Year: 2003 Publisher: Berlin: Springer,

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Abstract

Quantal density functional theory (Q-DFT) is a new local effective potential energy theory of the electronic structure of matter. It is a description in terms of classical fields that pervade all space, and their quantal sources. The fields, which are explicitly defined, are separately representative of the many-body electron correlations present in such a description, namely, those due to the Pauli exclusion principle, Coulomb repulsion, correlation-kinetic, and correlation-current-density effects. The book further describes Schrödinger theory from the new perspective of fields and quantal sources. It also explains the physics underlying the functionals and functional derivatives of traditional DFT.

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