Chemical applications of density-functional theory : developed from a symposium sponsored by the Division of Physical Chemistry and the Division of Computers in Chemistry at the 209th National Meeting of the American Chemical Society, Anaheim, California, April 2-6, 1995
著者
書誌事項
Chemical applications of density-functional theory : developed from a symposium sponsored by the Division of Physical Chemistry and the Division of Computers in Chemistry at the 209th National Meeting of the American Chemical Society, Anaheim, California, April 2-6, 1995
（ACS symposium series, 629）
American Chemical Society, 1996
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注記
Includes bibliographical references and indexes
内容説明・目次
内容説明
This text combines the two applications of density-functional theory, electronic structure and statistical mechanics, in one forum. It discusses how density-functional theory is used by quantum chemists and solid-state physicists to calculate electronic structures. The book presents the use of density-functional theory in the study of phase transition and in homogeneous fluids by statistical mechanics, and emphasizes both state-of-the-art techniques in areas of application and methodology development.
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