Density functional theory and its application to materials : Antwerp, Belgium 8-10 June 2000

editors, V. Van Doren, C. Van Alsenoy, P. Geerlings

An overview of the state of the art in density functional theory is presented. Not only the recent theoretical developments but also the achievements in calculating mechanical and electronic properties of molecules, polymers, and solids are described. Recent developments related to the construction of exchange-correlation functionals used in density functional theory for ground and excited states are presented. Applications to materials modeling in general as well as to nanotubes, quantum dots, and artificial molecules are incorporated. Topics such as optical excitations, critical temperatures of superconductors, and state-of-the-art Monte Carlo calculations are also discussed.

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書名 Density functional theory and its application to materials : Antwerp, Belgium 8-10 June 2000
著作者等 Van Doren, Victor E.
Alsenoy C.Van
Doren V.Van
Geerlings P.
Van Alsenoy C.
シリーズ名 AIP conference proceedings
出版元 American Institute of Physics
刊行年月 2001
ページ数 xiii, 207 p.
大きさ 25 cm
ISBN 0735400164
NCID BA53414242
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言語 英語
出版国 アメリカ合衆国
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