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Density Functional Theory of Molecules, Clusters, and Solids 1995th ed.(Understanding Chemical Reactivity Vol.12) H VIII, 320 p.

Ellis, D.E.  編
在庫状況 海外在庫有り  お届け予定日 1ヶ月  数量 冊 
価格 \42,450(税込)         

発行年月 1994年11月
出版社/提供元
出版国 オランダ
言語 英語
媒体 冊子
装丁 hardcover
ページ数/巻数 VIII, 320 p.
ジャンル 洋書
ISBN 9780792330837
商品コード 0200013419
商品URL
参照
https://kw.maruzen.co.jp/ims/itemDetail.html?itmCd=0200013419

内容

Rapid advances are taking place in the application of density functional theory (DFT) to describe complex electronic structures, to accurately treat large systems and to predict physical and chemical properties. Both theoretical content and computational methodology are developing at a pace which offers researchers new opportunities in areas such as quantum chemistry, cluster science, and solid state physics. This volume contains ten contributions by leading scientists in the field and provides an authoritative overview of the most important developments. The book focuses on the following themes: determining adequate approximations for the many-body problem of electronic correlations; how to transform these approximations into computational algorithms; applications to discover and predict properties of electronic systems; and developing the theory. For researchers in surface chemistry, catalysis, ceramics and inorganic chemistry.

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